N-(3-chloro-4-methoxyphenyl)-4-oxo-4-thiophen-2-ylbutanamide

C15H14ClNO3S — CID 2388217

IUPACN-(3-chloro-4-methoxyphenyl)-4-oxo-4-thiophen-2-ylbutanamide
SMILESCOc1ccc(NC(=O)CCC(=O)c2cccs2)cc1Cl
InChIInChI=1S/C15H14ClNO3S/c1-20-13-6-4-10(9-11(13)16)17-15(19)7-5-12(18)14-3-2-8-21-14/h2-4,6,8-9H,5,7H2,1H3,(H,17,19)
InChIKeyAYLZUZWPXYYLSM-UHFFFAOYSA-N
MW323.80 g/mol
LogP4.01
Rot. Bonds6

About N-(3-chloro-4-methoxyphenyl)-4-oxo-4-thiophen-2-ylbutanamide

N-(3-chloro-4-methoxyphenyl)-4-oxo-4-thiophen-2-ylbutanamide (PubChem CID 2388217) has the molecular formula C15H14ClNO3S and a molecular weight of 323.80 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-4-oxo-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-4-oxo-4-thiophen-2-ylbutanamide
PubChem CID2388217
Molecular FormulaC15H14ClNO3S
Molecular Weight323.80 g/mol
Exact Mass323.04
IUPAC NameN-(3-chloro-4-methoxyphenyl)-4-oxo-4-thiophen-2-ylbutanamide
SMILESCOc1ccc(NC(=O)CCC(=O)c2cccs2)cc1Cl
InChIInChI=1S/C15H14ClNO3S/c1-20-13-6-4-10(9-11(13)16)17-15(19)7-5-12(18)14-3-2-8-21-14/h2-4,6,8-9H,5,7H2,1H3,(H,17,19)
InChIKeyAYLZUZWPXYYLSM-UHFFFAOYSA-N
XLogP4.01
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.80
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-Methoxyphenyl)-2-thiophenecarboxamide
CID 573876
N-(3-chloro-4-methoxyphenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 8965468
(2S)-N-[3-chloro-4-(difluoromethoxy)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 2443459
N-(3-Chloro-4-methoxyphenyl)-4-[3-(thiophene-2-sulfonyl)propanamido]benzamide
CID 15988771
2-[5-(2-ethylsulfanylcarbothioylsulfanylacetyl)thiophen-2-yl]-N-(4-methoxyphenyl)acetamide
CID 24894897
N-(3-chloro-4-propoxyphenyl)thiophene-2-carboxamide
CID 44535683
N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 1256034
N-(5-chloro-2,4-dimethoxyphenyl)-2-thiophen-2-ylacetamide
CID 803021
4-(2,5-dimethylthiophen-3-yl)-N-(4-methoxyphenyl)-4-oxobutanamide
CID 2542224
N~4~-(3-chloro-4-methoxyphenyl)-4-(2-thienyl)tetrahydro-2H-pyran-4-carboxamide
CID 7243556
[2-(3-Chloro-4-methoxyanilino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 8662405
[2-(3-Chloro-4-methoxyanilino)-2-oxoethyl] 2-thiophen-2-ylacetate
CID 7799214

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-oxo-4-thiophen-2-ylbutanamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-oxo-4-thiophen-2-ylbutanamide (CID 2388217) is N-(3-chloro-4-methoxyphenyl)-4-oxo-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-4-oxo-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-4-oxo-4-thiophen-2-ylbutanamide is COc1ccc(NC(=O)CCC(=O)c2cccs2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-4-oxo-4-thiophen-2-ylbutanamide?
The InChIKey is AYLZUZWPXYYLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3S/c1-20-13-6-4-10(9-11(13)16)17-15(19)7-5-12(18)14-3-2-8-21-14/h2-4,6,8-9H,5,7H2,1H3,(H,17,19).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-4-oxo-4-thiophen-2-ylbutanamide?
N-(3-chloro-4-methoxyphenyl)-4-oxo-4-thiophen-2-ylbutanamide has a molecular weight of 323.80 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-4-oxo-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 2388217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).