4-(azepan-1-ylsulfonyl)-N-(cyclohexylmethyl)benzamide

C20H30N2O3S — CID 2666739

IUPAC4-(azepan-1-ylsulfonyl)-N-(cyclohexylmethyl)benzamide
SMILESO=C(NCC1CCCCC1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1
InChIInChI=1S/C20H30N2O3S/c23-20(21-16-17-8-4-3-5-9-17)18-10-12-19(13-11-18)26(24,25)22-14-6-1-2-7-15-22/h10-13,17H,1-9,14-16H2,(H,21,23)
InChIKeyICQKWJKXAPBVPV-UHFFFAOYSA-N
MW378.54 g/mol
LogP3.56
Rot. Bonds5

About 4-(azepan-1-ylsulfonyl)-N-(cyclohexylmethyl)benzamide

4-(azepan-1-ylsulfonyl)-N-(cyclohexylmethyl)benzamide (PubChem CID 2666739) has the molecular formula C20H30N2O3S and a molecular weight of 378.54 g/mol. Its IUPAC name is 4-(azepan-1-ylsulfonyl)-N-(cyclohexylmethyl)benzamide.

Molecular Properties

Compound Name4-(azepan-1-ylsulfonyl)-N-(cyclohexylmethyl)benzamide
PubChem CID2666739
Molecular FormulaC20H30N2O3S
Molecular Weight378.54 g/mol
Exact Mass378.20
IUPAC Name4-(azepan-1-ylsulfonyl)-N-(cyclohexylmethyl)benzamide
SMILESO=C(NCC1CCCCC1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1
InChIInChI=1S/C20H30N2O3S/c23-20(21-16-17-8-4-3-5-9-17)18-10-12-19(13-11-18)26(24,25)22-14-6-1-2-7-15-22/h10-13,17H,1-9,14-16H2,(H,21,23)
InChIKeyICQKWJKXAPBVPV-UHFFFAOYSA-N
XLogP3.56
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(azepan-1-ylsulfonyl)-N-(oxolan-3-ylmethyl)benzamide
CID 55659470
N-(cyclohexylmethyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 4811437
3-(azepan-1-ylsulfonyl)-4-chloro-N-(cyclopentylmethyl)benzamide
CID 39212135
[(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 4-pyrrolidin-1-ylsulfonylbenzoate
CID 40699579
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 8839764
N-(cyclopentylmethyl)-2-piperidin-1-yl-5-piperidin-1-ylsulfonylbenzamide
CID 55612373
N-ethyl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 26264709
4-(azepan-1-ylsulfonyl)-N-[2-[(4-chlorobenzoyl)amino]ethyl]benzamide
CID 34991413
methyl 2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]acetate
CID 799852
4-(4-acetylpiperazin-1-yl)sulfonyl-N-[[(1S,2R)-2-cyclohexylcyclopropyl]methyl]benzamide
CID 97353536
N-(cyclobutylmethyl)-4-sulfamoylbenzamide
CID 43298916
1-(4-chlorophenyl)sulfonyl-N-(cyclohexylmethyl)piperidine-3-carboxamide
CID 3214745

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-ylsulfonyl)-N-(cyclohexylmethyl)benzamide?
The IUPAC name of 4-(azepan-1-ylsulfonyl)-N-(cyclohexylmethyl)benzamide (CID 2666739) is 4-(azepan-1-ylsulfonyl)-N-(cyclohexylmethyl)benzamide.
What is the SMILES notation for 4-(azepan-1-ylsulfonyl)-N-(cyclohexylmethyl)benzamide?
The canonical SMILES for 4-(azepan-1-ylsulfonyl)-N-(cyclohexylmethyl)benzamide is O=C(NCC1CCCCC1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1.
What is the InChIKey of 4-(azepan-1-ylsulfonyl)-N-(cyclohexylmethyl)benzamide?
The InChIKey is ICQKWJKXAPBVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3S/c23-20(21-16-17-8-4-3-5-9-17)18-10-12-19(13-11-18)26(24,25)22-14-6-1-2-7-15-22/h10-13,17H,1-9,14-16H2,(H,21,23).
What are the key properties of 4-(azepan-1-ylsulfonyl)-N-(cyclohexylmethyl)benzamide?
4-(azepan-1-ylsulfonyl)-N-(cyclohexylmethyl)benzamide has a molecular weight of 378.54 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-ylsulfonyl)-N-(cyclohexylmethyl)benzamide is sourced from PubChem (CID 2666739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).