4-(4-methoxyphenyl)-5-methyl-N-propan-2-ylthiophene-2-carboxamide

C16H19NO2S — CID 78773588

IUPAC4-(4-methoxyphenyl)-5-methyl-N-propan-2-ylthiophene-2-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NC(C)C)sc2C)cc1
InChIInChI=1S/C16H19NO2S/c1-10(2)17-16(18)15-9-14(11(3)20-15)12-5-7-13(19-4)8-6-12/h5-10H,1-4H3,(H,17,18)
InChIKeyZMNUMGLXFPRXJR-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.87
Rot. Bonds4

About 4-(4-methoxyphenyl)-5-methyl-N-propan-2-ylthiophene-2-carboxamide

4-(4-methoxyphenyl)-5-methyl-N-propan-2-ylthiophene-2-carboxamide (PubChem CID 78773588) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-5-methyl-N-propan-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-5-methyl-N-propan-2-ylthiophene-2-carboxamide
PubChem CID78773588
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name4-(4-methoxyphenyl)-5-methyl-N-propan-2-ylthiophene-2-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NC(C)C)sc2C)cc1
InChIInChI=1S/C16H19NO2S/c1-10(2)17-16(18)15-9-14(11(3)20-15)12-5-7-13(19-4)8-6-12/h5-10H,1-4H3,(H,17,18)
InChIKeyZMNUMGLXFPRXJR-UHFFFAOYSA-N
XLogP3.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-methoxyphenyl)-5-methyl-N-propan-2-ylthiophene-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

4-(4-methoxyphenyl)-5-methyl-N-[2-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride
CID 120831426
4-(4-methoxyphenyl)-5-methyl-N-[1-(3-nitrophenyl)ethyl]thiophene-2-carboxamide
CID 112845924
N-benzyl-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 112760256
N-(4-aminocyclohexyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide;hydrochloride
CID 119474300
[1-(dimethylamino)-1-oxopropan-2-yl] 4-(4-methoxyphenyl)-5-methylthiophene-2-carboxylate
CID 55392246
N-[2-(cyclopropanecarbonylamino)ethyl]-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 78779390
N-(1-amino-2-cyclopropylpropan-2-yl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide;hydrochloride
CID 119572194
4-(4-methoxyphenyl)-5-methyl-N'-[2-(4-methylanilino)acetyl]thiophene-2-carbohydrazide
CID 78835011
N-(furan-2-ylmethyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 78773680
N-(3-amino-4-methylpentyl)-4-(4-methoxyphenyl)-N,5-dimethylthiophene-2-carboxamide;hydrochloride
CID 119657241
N-(1H-benzimidazol-2-yl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 35808128
[2-(aminomethyl)piperidin-1-yl]-[4-(4-methoxyphenyl)-5-methylthiophen-2-yl]methanone
CID 119466117

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-5-methyl-N-propan-2-ylthiophene-2-carboxamide?
The IUPAC name of 4-(4-methoxyphenyl)-5-methyl-N-propan-2-ylthiophene-2-carboxamide (CID 78773588) is 4-(4-methoxyphenyl)-5-methyl-N-propan-2-ylthiophene-2-carboxamide.
What is the SMILES notation for 4-(4-methoxyphenyl)-5-methyl-N-propan-2-ylthiophene-2-carboxamide?
The canonical SMILES for 4-(4-methoxyphenyl)-5-methyl-N-propan-2-ylthiophene-2-carboxamide is COc1ccc(-c2cc(C(=O)NC(C)C)sc2C)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-5-methyl-N-propan-2-ylthiophene-2-carboxamide?
The InChIKey is ZMNUMGLXFPRXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-10(2)17-16(18)15-9-14(11(3)20-15)12-5-7-13(19-4)8-6-12/h5-10H,1-4H3,(H,17,18).
What are the key properties of 4-(4-methoxyphenyl)-5-methyl-N-propan-2-ylthiophene-2-carboxamide?
4-(4-methoxyphenyl)-5-methyl-N-propan-2-ylthiophene-2-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-5-methyl-N-propan-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 78773588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).