N-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-4-methylbenzenesulfonamide

C17H26N2O3S — CID 934541

IUPACN-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-4-methylbenzenesulfonamide
SMILESCCN(CC(=O)N1CCCCCC1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H26N2O3S/c1-3-19(14-17(20)18-12-6-4-5-7-13-18)23(21,22)16-10-8-15(2)9-11-16/h8-11H,3-7,12-14H2,1-2H3
InChIKeyVYEYUWGVHOXDEZ-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.41
Rot. Bonds5

About N-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-4-methylbenzenesulfonamide

N-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-4-methylbenzenesulfonamide (PubChem CID 934541) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-4-methylbenzenesulfonamide
PubChem CID934541
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC NameN-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-4-methylbenzenesulfonamide
SMILESCCN(CC(=O)N1CCCCCC1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H26N2O3S/c1-3-19(14-17(20)18-12-6-4-5-7-13-18)23(21,22)16-10-8-15(2)9-11-16/h8-11H,3-7,12-14H2,1-2H3
InChIKeyVYEYUWGVHOXDEZ-UHFFFAOYSA-N
XLogP2.41
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-4-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tert-butyl 4-[(4-methylphenyl)sulfonyl]-1,4-diazepane-1-carboxylate
CID 2795707
2-Amino-N-[2-(4-sulfamoyl-phenyl)-ethyl]-acetamide
CID 10848746
4-Methyl-1-[(4-methylphenyl)sulfonyl]-1,4-diazaperhydroepine
CID 2354155
2-[2-cyanoethyl(2-phenylethyl)amino]-N-(cyanomethyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 156009494
3-Methyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 717239
N-{2-[4-(aminosulfonyl)phenyl]ethyl}-2-azepan-1-ylacetamide
CID 2500491
2-piperidin-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2697426
4-ethyl-N-(2-oxoazepan-3-yl)benzenesulfonamide
CID 2738684
2-[4-(2,4-Dimethylphenyl)sulfonylpiperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 4787641
1,4-Bis[(4-methylphenyl)sulfonyl]tetrahydropyrazine-2,5-dione
CID 285263
4-Methyl-N-(2-oxo-2-piperidin-1-yl-ethyl)-benzenesulfonamide
CID 751041
3,3-Dimethyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 2106955

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-4-methylbenzenesulfonamide (CID 934541) is N-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-4-methylbenzenesulfonamide is CCN(CC(=O)N1CCCCCC1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-4-methylbenzenesulfonamide?
The InChIKey is VYEYUWGVHOXDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-3-19(14-17(20)18-12-6-4-5-7-13-18)23(21,22)16-10-8-15(2)9-11-16/h8-11H,3-7,12-14H2,1-2H3.
What are the key properties of N-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-4-methylbenzenesulfonamide?
N-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-4-methylbenzenesulfonamide has a molecular weight of 338.47 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-4-methylbenzenesulfonamide is sourced from PubChem (CID 934541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).