2-(azepan-1-yl)-N-(4-sulfamoylphenyl)acetamide

C14H21N3O3S — CID 732235

IUPAC2-(azepan-1-yl)-N-(4-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CN2CCCCCC2)cc1
InChIInChI=1S/C14H21N3O3S/c15-21(19,20)13-7-5-12(6-8-13)16-14(18)11-17-9-3-1-2-4-10-17/h5-8H,1-4,9-11H2,(H,16,18)(H2,15,19,20)
InChIKeyPMOFALUJKMNKQL-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.15
Rot. Bonds4

About 2-(azepan-1-yl)-N-(4-sulfamoylphenyl)acetamide

2-(azepan-1-yl)-N-(4-sulfamoylphenyl)acetamide (PubChem CID 732235) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-(4-sulfamoylphenyl)acetamide
PubChem CID732235
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name2-(azepan-1-yl)-N-(4-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CN2CCCCCC2)cc1
InChIInChI=1S/C14H21N3O3S/c15-21(19,20)13-7-5-12(6-8-13)16-14(18)11-17-9-3-1-2-4-10-17/h5-8H,1-4,9-11H2,(H,16,18)(H2,15,19,20)
InChIKeyPMOFALUJKMNKQL-UHFFFAOYSA-N
XLogP1.15
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-benzyl-1,4-diazepan-1-yl)-N-(4-sulfamoylphenyl)acetamide
CID 16608527
1-[2-(4-methylanilino)-2-oxoethyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 16909772
2-[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide
CID 3238983
N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-2-piperidin-1-ylacetamide
CID 51686284
N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide
CID 54814408
N-[4-(diethylsulfamoyl)phenyl]-2-pyrrolidin-1-ylacetamide
CID 8901829
N-(4-sulfamoylphenyl)azocane-1-carboxamide
CID 17414007
2-(azepan-1-yl)-N-[4-[(2R,6R)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 51687104
2-[4-[2-(2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide
CID 20970585
2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide
CID 4833078
2-(azocan-1-yl)-N-(4-nitrophenyl)acetamide
CID 8583783
2-pyrrolidin-1-yl-N-[4-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]sulfanylphenyl]acetamide
CID 53323507

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-(azepan-1-yl)-N-(4-sulfamoylphenyl)acetamide (CID 732235) is 2-(azepan-1-yl)-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-(azepan-1-yl)-N-(4-sulfamoylphenyl)acetamide is NS(=O)(=O)c1ccc(NC(=O)CN2CCCCCC2)cc1.
What is the InChIKey of 2-(azepan-1-yl)-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is PMOFALUJKMNKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c15-21(19,20)13-7-5-12(6-8-13)16-14(18)11-17-9-3-1-2-4-10-17/h5-8H,1-4,9-11H2,(H,16,18)(H2,15,19,20).
What are the key properties of 2-(azepan-1-yl)-N-(4-sulfamoylphenyl)acetamide?
2-(azepan-1-yl)-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 311.41 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 732235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).