4-(5-chlorothiophen-2-yl)-4-oxo-N-(3-propan-2-ylphenyl)butanamide

C17H18ClNO2S — CID 18128072

IUPAC4-(5-chlorothiophen-2-yl)-4-oxo-N-(3-propan-2-ylphenyl)butanamide
SMILESCC(C)c1cccc(NC(=O)CCC(=O)c2ccc(Cl)s2)c1
InChIInChI=1S/C17H18ClNO2S/c1-11(2)12-4-3-5-13(10-12)19-17(21)9-6-14(20)15-7-8-16(18)22-15/h3-5,7-8,10-11H,6,9H2,1-2H3,(H,19,21)
InChIKeyKVWJZOGZZMJYAF-UHFFFAOYSA-N
MW335.86 g/mol
LogP5.13
Rot. Bonds6

About 4-(5-chlorothiophen-2-yl)-4-oxo-N-(3-propan-2-ylphenyl)butanamide

4-(5-chlorothiophen-2-yl)-4-oxo-N-(3-propan-2-ylphenyl)butanamide (PubChem CID 18128072) has the molecular formula C17H18ClNO2S and a molecular weight of 335.86 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)-4-oxo-N-(3-propan-2-ylphenyl)butanamide.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)-4-oxo-N-(3-propan-2-ylphenyl)butanamide
PubChem CID18128072
Molecular FormulaC17H18ClNO2S
Molecular Weight335.86 g/mol
Exact Mass335.07
IUPAC Name4-(5-chlorothiophen-2-yl)-4-oxo-N-(3-propan-2-ylphenyl)butanamide
SMILESCC(C)c1cccc(NC(=O)CCC(=O)c2ccc(Cl)s2)c1
InChIInChI=1S/C17H18ClNO2S/c1-11(2)12-4-3-5-13(10-12)19-17(21)9-6-14(20)15-7-8-16(18)22-15/h3-5,7-8,10-11H,6,9H2,1-2H3,(H,19,21)
InChIKeyKVWJZOGZZMJYAF-UHFFFAOYSA-N
XLogP5.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.86
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-oxo-4-(3-propan-2-ylanilino)butanoic acid
CID 43396404
4-(5-chlorothiophen-2-yl)-4-oxo-N-(1-phenylethyl)butanamide
CID 46652279
methyl 4-[[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]amino]benzoate
CID 26583308
[2-(3-methylanilino)-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate
CID 7238266
4-(5-chlorothiophen-2-yl)-4-oxo-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide
CID 17427305
[2-(3-acetylanilino)-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate
CID 7238256
4-(5-chlorothiophen-2-yl)-N-(2,3-dimethylphenyl)-4-oxobutanamide
CID 26538534
3-methyl-N-(3-propan-2-ylphenyl)butanamide
CID 21491914
3-oxo-3-(3-propan-2-ylanilino)propanoic acid
CID 62230571
[(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate
CID 9001957
3-phenyl-N-(3-propan-2-ylphenyl)propanamide
CID 112765575
4-(5-chlorothiophen-2-yl)-4-oxo-N-(1-pyridin-3-ylethyl)butanamide
CID 51193161

Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophen-2-yl)-4-oxo-N-(3-propan-2-ylphenyl)butanamide?
The IUPAC name of 4-(5-chlorothiophen-2-yl)-4-oxo-N-(3-propan-2-ylphenyl)butanamide (CID 18128072) is 4-(5-chlorothiophen-2-yl)-4-oxo-N-(3-propan-2-ylphenyl)butanamide.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)-4-oxo-N-(3-propan-2-ylphenyl)butanamide?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)-4-oxo-N-(3-propan-2-ylphenyl)butanamide is CC(C)c1cccc(NC(=O)CCC(=O)c2ccc(Cl)s2)c1.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)-4-oxo-N-(3-propan-2-ylphenyl)butanamide?
The InChIKey is KVWJZOGZZMJYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2S/c1-11(2)12-4-3-5-13(10-12)19-17(21)9-6-14(20)15-7-8-16(18)22-15/h3-5,7-8,10-11H,6,9H2,1-2H3,(H,19,21).
What are the key properties of 4-(5-chlorothiophen-2-yl)-4-oxo-N-(3-propan-2-ylphenyl)butanamide?
4-(5-chlorothiophen-2-yl)-4-oxo-N-(3-propan-2-ylphenyl)butanamide has a molecular weight of 335.86 g/mol, XLogP of 5.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophen-2-yl)-4-oxo-N-(3-propan-2-ylphenyl)butanamide is sourced from PubChem (CID 18128072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).