Common name
3-methyl-N-propan-2-ylthiophene-2-carboxamide
IUPAC name
3-methyl-N-propan-2-ylthiophene-2-carboxamide
SMILES
C(C)(C)NC(=O)c1sccc1C
Common name
3-methyl-N-propan-2-ylthiophene-2-carboxamide
IUPAC name
3-methyl-N-propan-2-ylthiophene-2-carboxamide
SMILES
C(C)(C)NC(=O)c1sccc1C
INCHI
InChI=1S/C9H13NOS/c1-6(2)10-9(11)8-7(3)4-5-12-8/h4-6H,1-3H3,(H,10,11)
FORMULA
C9H13NOS
Common name
3-methyl-N-propan-2-ylthiophene-2-carboxamide
IUPAC name
3-methyl-N-propan-2-ylthiophene-2-carboxamide
Molecular weight
183.271
clogP
2.994
clogS
-2.574
Frequency
0.0003
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
57.34
Number of Rings
1
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02908 | isofetamid |
|
Fungicide | Fungicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3dxk_ligand_2_2.mol2 | 3dxk | 0.826087 | -6.68 | C(NC(=O)c1cccs1)C | 10 |
| 2gu8_ligand_2_10.mol2 | 2gu8 | 0.826087 | -6.23 | CCNC(=O)c1sccc1 | 10 |
| 3dxk_ligand_1_2.mol2 | 3dxk | 0.73913 | -6.35 | CNC(=O)c1cccs1 | 9 |
| 1utz_ligand_1_2.mol2 | 1utz | 0.73913 | -6.23 | s1c(ccc1)C(=O)NC | 9 |
| 4ijp_ligand_1_1.mol2 | 4ijp | 0.73913 | -6.09 | N(C(=O)c1sccc1)C | 9 |
| 2gu8_ligand_1_2.mol2 | 2gu8 | 0.73913 | -6.05 | CNC(=O)c1sccc1 | 9 |
| 4li6_ligand_4_1.mol2 | 4li6 | 0.684932 | -6.48 | CC(=O)N(Cc1sccc1)C | 11 |
| 4li6_ligand_3_2.mol2 | 4li6 | 0.684932 | -6.31 | CC(=O)NCc1sccc1 | 10 |
| 4li8_ligand_4_38.mol2 | 4li8 | 0.684932 | -6.13 | C(N(C(=O)C)C)c1cccs1 | 11 |
| 4li8_ligand_3_39.mol2 | 4li8 | 0.684932 | -5.98 | C(NC(=O)C)c1cccs1 | 10 |
100 ,
11
