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

C14H13ClN2O4S2 — CID 4843093

IUPAC4-(5-chlorothiophen-2-yl)-4-oxo-N-(4-sulfamoylphenyl)butanamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CCC(=O)c2ccc(Cl)s2)cc1
InChIInChI=1S/C14H13ClN2O4S2/c15-13-7-6-12(22-13)11(18)5-8-14(19)17-9-1-3-10(4-2-9)23(16,20)21/h1-4,6-7H,5,8H2,(H,17,19)(H2,16,20,21)
InChIKeyYKTMSZKHKXLQIX-UHFFFAOYSA-N
MW372.86 g/mol
LogP2.65
Rot. Bonds6

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

4-(5-chlorothiophen-2-yl)-4-oxo-N-(4-sulfamoylphenyl)butanamide (PubChem CID 4843093) has the molecular formula C14H13ClN2O4S2 and a molecular weight of 372.86 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)-4-oxo-N-(4-sulfamoylphenyl)butanamide.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)-4-oxo-N-(4-sulfamoylphenyl)butanamide
PubChem CID4843093
Molecular FormulaC14H13ClN2O4S2
Molecular Weight372.86 g/mol
Exact Mass372.00
IUPAC Name4-(5-chlorothiophen-2-yl)-4-oxo-N-(4-sulfamoylphenyl)butanamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CCC(=O)c2ccc(Cl)s2)cc1
InChIInChI=1S/C14H13ClN2O4S2/c15-13-7-6-12(22-13)11(18)5-8-14(19)17-9-1-3-10(4-2-9)23(16,20)21/h1-4,6-7H,5,8H2,(H,17,19)(H2,16,20,21)
InChIKeyYKTMSZKHKXLQIX-UHFFFAOYSA-N
XLogP2.65
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]amino]benzoate
CID 26583308
3-amino-N-(4-sulfamoylphenyl)propanamide
CID 10776616
4-(4-fluorophenyl)-4-oxo-N-(4-sulfamoylphenyl)butanamide
CID 4850003
methyl 4-oxo-4-(4-sulfamoylanilino)butanoate
CID 721949
4-(5-chlorothiophen-2-yl)-N-methoxy-4-oxobutanamide
CID 43054602
4-(5-chlorothiophen-2-yl)-4-oxo-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide
CID 17427305
3-(4-chlorophenyl)-N-(4-sulfamoylphenyl)propanamide
CID 19220922
4-(5-chlorothiophen-2-yl)-4-oxo-N-(3-propan-2-ylphenyl)butanamide
CID 18128072
4-(5-chlorothiophen-2-yl)-N-[4-(1-methylbenzimidazol-2-yl)phenyl]-4-oxobutanamide
CID 56527841
4-(5-chlorothiophen-2-yl)-4-oxo-N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]butanamide
CID 55933437
4-(5-chlorothiophen-2-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-oxobutanamide
CID 17494727
[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 4-(5-methylthiophen-2-yl)-4-oxobutanoate
CID 42918457

Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophen-2-yl)-4-oxo-N-(4-sulfamoylphenyl)butanamide?
The IUPAC name of 4-(5-chlorothiophen-2-yl)-4-oxo-N-(4-sulfamoylphenyl)butanamide (CID 4843093) is 4-(5-chlorothiophen-2-yl)-4-oxo-N-(4-sulfamoylphenyl)butanamide.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)-4-oxo-N-(4-sulfamoylphenyl)butanamide?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)-4-oxo-N-(4-sulfamoylphenyl)butanamide is NS(=O)(=O)c1ccc(NC(=O)CCC(=O)c2ccc(Cl)s2)cc1.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)-4-oxo-N-(4-sulfamoylphenyl)butanamide?
The InChIKey is YKTMSZKHKXLQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O4S2/c15-13-7-6-12(22-13)11(18)5-8-14(19)17-9-1-3-10(4-2-9)23(16,20)21/h1-4,6-7H,5,8H2,(H,17,19)(H2,16,20,21).
What are the key properties of 4-(5-chlorothiophen-2-yl)-4-oxo-N-(4-sulfamoylphenyl)butanamide?
4-(5-chlorothiophen-2-yl)-4-oxo-N-(4-sulfamoylphenyl)butanamide has a molecular weight of 372.86 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophen-2-yl)-4-oxo-N-(4-sulfamoylphenyl)butanamide is sourced from PubChem (CID 4843093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).