3-ethoxy-N-[2-methyl-4-(methylcarbamoyl)phenyl]-5-phenylthiophene-2-carboxamide

C22H22N2O3S — CID 55796192

IUPAC3-ethoxy-N-[2-methyl-4-(methylcarbamoyl)phenyl]-5-phenylthiophene-2-carboxamide
SMILESCCOc1cc(-c2ccccc2)sc1C(=O)Nc1ccc(C(=O)NC)cc1C
InChIInChI=1S/C22H22N2O3S/c1-4-27-18-13-19(15-8-6-5-7-9-15)28-20(18)22(26)24-17-11-10-16(12-14(17)2)21(25)23-3/h5-13H,4H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyHPKYYVVWMWPBIH-UHFFFAOYSA-N
MW394.50 g/mol
LogP4.73
Rot. Bonds6

About 3-ethoxy-N-[2-methyl-4-(methylcarbamoyl)phenyl]-5-phenylthiophene-2-carboxamide

3-ethoxy-N-[2-methyl-4-(methylcarbamoyl)phenyl]-5-phenylthiophene-2-carboxamide (PubChem CID 55796192) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is 3-ethoxy-N-[2-methyl-4-(methylcarbamoyl)phenyl]-5-phenylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-ethoxy-N-[2-methyl-4-(methylcarbamoyl)phenyl]-5-phenylthiophene-2-carboxamide
PubChem CID55796192
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC Name3-ethoxy-N-[2-methyl-4-(methylcarbamoyl)phenyl]-5-phenylthiophene-2-carboxamide
SMILESCCOc1cc(-c2ccccc2)sc1C(=O)Nc1ccc(C(=O)NC)cc1C
InChIInChI=1S/C22H22N2O3S/c1-4-27-18-13-19(15-8-6-5-7-9-15)28-20(18)22(26)24-17-11-10-16(12-14(17)2)21(25)23-3/h5-13H,4H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyHPKYYVVWMWPBIH-UHFFFAOYSA-N
XLogP4.73
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-ethoxy-N-[2-methyl-4-(methylcarbamoyl)phenyl]-5-phenylthiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-benzamidoethyl)-3-ethoxy-5-phenylthiophene-2-carboxamide
CID 46494690
3-ethoxy-N-[3-[(2-methoxyacetyl)amino]phenyl]-5-phenylthiophene-2-carboxamide
CID 55793294
2-benzyl-4-methyl-N-[2-methyl-4-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide
CID 55705154
3-ethoxy-N,4-dimethylbenzamide
CID 59678322
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-3-ethoxy-5-phenylthiophene-2-carboxamide
CID 52652606
3-ethoxy-5-phenyl-N-piperidin-4-ylthiophene-2-carboxamide
CID 119386060
3-ethoxy-N'-[2-(2-methoxyanilino)acetyl]-5-phenylthiophene-2-carbohydrazide
CID 55831825
3-ethoxy-5-phenyl-N-pyrrolidin-3-ylthiophene-2-carboxamide
CID 119449775
N-(4-aminocyclohexyl)-3-ethoxy-5-phenylthiophene-2-carboxamide;hydrochloride
CID 119474680
3-ethoxy-N-(oxan-2-yloxy)-5-phenylthiophene-2-carboxamide
CID 60612363
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-ethoxy-5-phenylthiophene-2-carboxamide
CID 119455398
3-ethoxy-N-[2-(furan-2-yl)ethyl]-5-phenylthiophene-2-carboxamide
CID 55792612

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[2-methyl-4-(methylcarbamoyl)phenyl]-5-phenylthiophene-2-carboxamide?
The IUPAC name of 3-ethoxy-N-[2-methyl-4-(methylcarbamoyl)phenyl]-5-phenylthiophene-2-carboxamide (CID 55796192) is 3-ethoxy-N-[2-methyl-4-(methylcarbamoyl)phenyl]-5-phenylthiophene-2-carboxamide.
What is the SMILES notation for 3-ethoxy-N-[2-methyl-4-(methylcarbamoyl)phenyl]-5-phenylthiophene-2-carboxamide?
The canonical SMILES for 3-ethoxy-N-[2-methyl-4-(methylcarbamoyl)phenyl]-5-phenylthiophene-2-carboxamide is CCOc1cc(-c2ccccc2)sc1C(=O)Nc1ccc(C(=O)NC)cc1C.
What is the InChIKey of 3-ethoxy-N-[2-methyl-4-(methylcarbamoyl)phenyl]-5-phenylthiophene-2-carboxamide?
The InChIKey is HPKYYVVWMWPBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-4-27-18-13-19(15-8-6-5-7-9-15)28-20(18)22(26)24-17-11-10-16(12-14(17)2)21(25)23-3/h5-13H,4H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of 3-ethoxy-N-[2-methyl-4-(methylcarbamoyl)phenyl]-5-phenylthiophene-2-carboxamide?
3-ethoxy-N-[2-methyl-4-(methylcarbamoyl)phenyl]-5-phenylthiophene-2-carboxamide has a molecular weight of 394.50 g/mol, XLogP of 4.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[2-methyl-4-(methylcarbamoyl)phenyl]-5-phenylthiophene-2-carboxamide is sourced from PubChem (CID 55796192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).