4-(2,5-dimethylthiophen-3-yl)-N-(4-methoxyphenyl)-4-oxobutanamide

C17H19NO3S — CID 2542224

IUPAC4-(2,5-dimethylthiophen-3-yl)-N-(4-methoxyphenyl)-4-oxobutanamide
SMILESCOc1ccc(NC(=O)CCC(=O)c2cc(C)sc2C)cc1
InChIInChI=1S/C17H19NO3S/c1-11-10-15(12(2)22-11)16(19)8-9-17(20)18-13-4-6-14(21-3)7-5-13/h4-7,10H,8-9H2,1-3H3,(H,18,20)
InChIKeyOAFVIOZJPGNXAH-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.98
Rot. Bonds6

About 4-(2,5-dimethylthiophen-3-yl)-N-(4-methoxyphenyl)-4-oxobutanamide

4-(2,5-dimethylthiophen-3-yl)-N-(4-methoxyphenyl)-4-oxobutanamide (PubChem CID 2542224) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is 4-(2,5-dimethylthiophen-3-yl)-N-(4-methoxyphenyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(2,5-dimethylthiophen-3-yl)-N-(4-methoxyphenyl)-4-oxobutanamide
PubChem CID2542224
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC Name4-(2,5-dimethylthiophen-3-yl)-N-(4-methoxyphenyl)-4-oxobutanamide
SMILESCOc1ccc(NC(=O)CCC(=O)c2cc(C)sc2C)cc1
InChIInChI=1S/C17H19NO3S/c1-11-10-15(12(2)22-11)16(19)8-9-17(20)18-13-4-6-14(21-3)7-5-13/h4-7,10H,8-9H2,1-3H3,(H,18,20)
InChIKeyOAFVIOZJPGNXAH-UHFFFAOYSA-N
XLogP3.98
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-Methoxyphenyl)-2-thiophenecarboxamide
CID 573876
N-(4-methoxyphenyl)-2-(phenylmethylthio)benzamide
CID 8796093
N-[4-[1-(4-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]thiophene-2-carboxamide
CID 3978878
3-Butoxy-N-(4-methoxyphenyl)-N-[(thiophen-2-YL)methyl]benzamide
CID 16015934
3-{1-[(5-Acetylthiophen-2-Yl)carbonyl]piperidin-4-Yl}-N-(3-Methoxyphenyl)propanamide
CID 24790658
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-methylthiophene-2-carboxamide
CID 946539
N-(4-ethoxyphenyl)-2-(methylthio)benzamide
CID 967770
N-{2-[(2-methoxyanilino)carbonyl]phenyl}-2-thiophenecarboxamide
CID 1116978
N-(3,4-dimethoxyphenyl)-5-methylthiophene-3-carboxamide
CID 1247262
3-methyl-N-(4-phenylmethoxyphenyl)thiophene-2-carboxamide
CID 2469877
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide
CID 9438703
Ethyl 3-acetamido-5-(4-methoxyphenyl)thiophene-2-carboxylate
CID 793387

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylthiophen-3-yl)-N-(4-methoxyphenyl)-4-oxobutanamide?
The IUPAC name of 4-(2,5-dimethylthiophen-3-yl)-N-(4-methoxyphenyl)-4-oxobutanamide (CID 2542224) is 4-(2,5-dimethylthiophen-3-yl)-N-(4-methoxyphenyl)-4-oxobutanamide.
What is the SMILES notation for 4-(2,5-dimethylthiophen-3-yl)-N-(4-methoxyphenyl)-4-oxobutanamide?
The canonical SMILES for 4-(2,5-dimethylthiophen-3-yl)-N-(4-methoxyphenyl)-4-oxobutanamide is COc1ccc(NC(=O)CCC(=O)c2cc(C)sc2C)cc1.
What is the InChIKey of 4-(2,5-dimethylthiophen-3-yl)-N-(4-methoxyphenyl)-4-oxobutanamide?
The InChIKey is OAFVIOZJPGNXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-11-10-15(12(2)22-11)16(19)8-9-17(20)18-13-4-6-14(21-3)7-5-13/h4-7,10H,8-9H2,1-3H3,(H,18,20).
What are the key properties of 4-(2,5-dimethylthiophen-3-yl)-N-(4-methoxyphenyl)-4-oxobutanamide?
4-(2,5-dimethylthiophen-3-yl)-N-(4-methoxyphenyl)-4-oxobutanamide has a molecular weight of 317.41 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylthiophen-3-yl)-N-(4-methoxyphenyl)-4-oxobutanamide is sourced from PubChem (CID 2542224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).