N-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]benzamide

C21H26N2O3S — CID 108736469

IUPACN-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]benzamide
SMILESO=C(NCCc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccccc1
InChIInChI=1S/C21H26N2O3S/c24-21(19-8-4-3-5-9-19)22-15-14-18-10-12-20(13-11-18)27(25,26)23-16-6-1-2-7-17-23/h3-5,8-13H,1-2,6-7,14-17H2,(H,22,24)
InChIKeyZATNJSAYJUVQOK-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.22
Rot. Bonds6

About N-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]benzamide

N-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]benzamide (PubChem CID 108736469) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]benzamide
PubChem CID108736469
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC NameN-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]benzamide
SMILESO=C(NCCc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccccc1
InChIInChI=1S/C21H26N2O3S/c24-21(19-8-4-3-5-9-19)22-15-14-18-10-12-20(13-11-18)27(25,26)23-16-6-1-2-7-17-23/h3-5,8-13H,1-2,6-7,14-17H2,(H,22,24)
InChIKeyZATNJSAYJUVQOK-UHFFFAOYSA-N
XLogP3.22
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]benzamide 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

N-(2-phenylethyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 20973683
4-methyl-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]benzamide
CID 30125482
N-[2-(4-chlorophenyl)ethyl]-4-piperidin-1-ylsulfonylbenzamide
CID 4289503
N-(2-phenylethyl)-N'-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]oxamide
CID 30126597
N-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]-4-tert-butylbenzamide
CID 108736462
3-fluoro-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzamide
CID 30125800
N-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]-3-cyanobenzamide
CID 108736551
(Z)-N-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]-2,3-diphenylprop-2-enamide
CID 108759486
N'-[3-(4-piperidin-1-ylsulfonylphenyl)propanoyl]benzohydrazide
CID 9414906
4-(azepan-1-ylsulfonyl)-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 9051929
3,5-dimethoxy-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzamide
CID 30125401
2-chloro-N-(2-phenylethyl)-5-piperidin-1-ylsulfonylbenzamide
CID 26534993

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]benzamide?
The IUPAC name of N-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]benzamide (CID 108736469) is N-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]benzamide.
What is the SMILES notation for N-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]benzamide?
The canonical SMILES for N-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]benzamide is O=C(NCCc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccccc1.
What is the InChIKey of N-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]benzamide?
The InChIKey is ZATNJSAYJUVQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c24-21(19-8-4-3-5-9-19)22-15-14-18-10-12-20(13-11-18)27(25,26)23-16-6-1-2-7-17-23/h3-5,8-13H,1-2,6-7,14-17H2,(H,22,24).
What are the key properties of N-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]benzamide?
N-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]benzamide has a molecular weight of 386.52 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]benzamide is sourced from PubChem (CID 108736469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).