4-(5-chlorothiophen-2-yl)-4-oxo-N-(2-phenylethyl)butanamide

C16H16ClNO2S — CID 18108735

IUPAC4-(5-chlorothiophen-2-yl)-4-oxo-N-(2-phenylethyl)butanamide
SMILESO=C(CCC(=O)c1ccc(Cl)s1)NCCc1ccccc1
InChIInChI=1S/C16H16ClNO2S/c17-15-8-7-14(21-15)13(19)6-9-16(20)18-11-10-12-4-2-1-3-5-12/h1-5,7-8H,6,9-11H2,(H,18,20)
InChIKeyDVYRSVPBSFFIMP-UHFFFAOYSA-N
MW321.83 g/mol
LogP3.72
Rot. Bonds7

About 4-(5-chlorothiophen-2-yl)-4-oxo-N-(2-phenylethyl)butanamide

4-(5-chlorothiophen-2-yl)-4-oxo-N-(2-phenylethyl)butanamide (PubChem CID 18108735) has the molecular formula C16H16ClNO2S and a molecular weight of 321.83 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)-4-oxo-N-(2-phenylethyl)butanamide.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)-4-oxo-N-(2-phenylethyl)butanamide
PubChem CID18108735
Molecular FormulaC16H16ClNO2S
Molecular Weight321.83 g/mol
Exact Mass321.06
IUPAC Name4-(5-chlorothiophen-2-yl)-4-oxo-N-(2-phenylethyl)butanamide
SMILESO=C(CCC(=O)c1ccc(Cl)s1)NCCc1ccccc1
InChIInChI=1S/C16H16ClNO2S/c17-15-8-7-14(21-15)13(19)6-9-16(20)18-11-10-12-4-2-1-3-5-12/h1-5,7-8H,6,9-11H2,(H,18,20)
InChIKeyDVYRSVPBSFFIMP-UHFFFAOYSA-N
XLogP3.72
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-chlorothiophen-2-yl)-N-[2-(4-fluorophenyl)ethyl]-4-oxobutanamide
CID 18104965
4-(5-chlorothiophen-2-yl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-oxobutanamide
CID 9450281
4-(5-chlorothiophen-2-yl)-N-(3-hydroxypropyl)-4-oxobutanamide
CID 78798225
N-[2-(4-chlorophenyl)sulfanylethyl]-4-(5-chlorothiophen-2-yl)-4-oxobutanamide
CID 55408934
4-(5-chlorothiophen-2-yl)-4-oxo-N-(1-phenylethyl)butanamide
CID 46652279
methyl (2S)-2-[[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]amino]-3-phenylpropanoate
CID 2576698
4-[2-(5-chlorothiophen-2-yl)ethylamino]-4-oxobutanoic acid
CID 103925944
4-(5-chlorothiophen-2-yl)-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-4-oxobutanamide
CID 60513103
4-(5-chlorothiophen-2-yl)-4-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butanamide
CID 60510774
N-(1-benzylpyrrolidin-3-yl)-4-(5-chlorothiophen-2-yl)-4-oxobutanamide
CID 46518836
[(2S)-1-oxo-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate
CID 7238128
4-(5-chlorothiophen-2-yl)-N-(3-cyclohexyloxypropyl)-4-oxobutanamide
CID 134030077

Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophen-2-yl)-4-oxo-N-(2-phenylethyl)butanamide?
The IUPAC name of 4-(5-chlorothiophen-2-yl)-4-oxo-N-(2-phenylethyl)butanamide (CID 18108735) is 4-(5-chlorothiophen-2-yl)-4-oxo-N-(2-phenylethyl)butanamide.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)-4-oxo-N-(2-phenylethyl)butanamide?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)-4-oxo-N-(2-phenylethyl)butanamide is O=C(CCC(=O)c1ccc(Cl)s1)NCCc1ccccc1.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)-4-oxo-N-(2-phenylethyl)butanamide?
The InChIKey is DVYRSVPBSFFIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2S/c17-15-8-7-14(21-15)13(19)6-9-16(20)18-11-10-12-4-2-1-3-5-12/h1-5,7-8H,6,9-11H2,(H,18,20).
What are the key properties of 4-(5-chlorothiophen-2-yl)-4-oxo-N-(2-phenylethyl)butanamide?
4-(5-chlorothiophen-2-yl)-4-oxo-N-(2-phenylethyl)butanamide has a molecular weight of 321.83 g/mol, XLogP of 3.72, 7 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-(2-phenylethyl)butanamide is sourced from PubChem (CID 18108735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).