4-(azepan-1-ylsulfonyl)-N-methyl-N-naphthalen-2-ylbenzamide

C24H26N2O3S — CID 26904305

IUPAC4-(azepan-1-ylsulfonyl)-N-methyl-N-naphthalen-2-ylbenzamide
SMILESCN(C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C24H26N2O3S/c1-25(22-13-10-19-8-4-5-9-21(19)18-22)24(27)20-11-14-23(15-12-20)30(28,29)26-16-6-2-3-7-17-26/h4-5,8-15,18H,2-3,6-7,16-17H2,1H3
InChIKeyLPXMLJVBIYULNI-UHFFFAOYSA-N
MW422.55 g/mol
LogP4.68
Rot. Bonds4

About 4-(azepan-1-ylsulfonyl)-N-methyl-N-naphthalen-2-ylbenzamide

4-(azepan-1-ylsulfonyl)-N-methyl-N-naphthalen-2-ylbenzamide (PubChem CID 26904305) has the molecular formula C24H26N2O3S and a molecular weight of 422.55 g/mol. Its IUPAC name is 4-(azepan-1-ylsulfonyl)-N-methyl-N-naphthalen-2-ylbenzamide.

Molecular Properties

Compound Name4-(azepan-1-ylsulfonyl)-N-methyl-N-naphthalen-2-ylbenzamide
PubChem CID26904305
Molecular FormulaC24H26N2O3S
Molecular Weight422.55 g/mol
Exact Mass422.17
IUPAC Name4-(azepan-1-ylsulfonyl)-N-methyl-N-naphthalen-2-ylbenzamide
SMILESCN(C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C24H26N2O3S/c1-25(22-13-10-19-8-4-5-9-21(19)18-22)24(27)20-11-14-23(15-12-20)30(28,29)26-16-6-2-3-7-17-26/h4-5,8-15,18H,2-3,6-7,16-17H2,1H3
InChIKeyLPXMLJVBIYULNI-UHFFFAOYSA-N
XLogP4.68
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(azepan-1-ylsulfonyl)-N-methyl-N-naphthalen-2-ylbenzamide 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,4-dimethyl-N-naphthalen-2-yl-3-piperidin-1-ylsulfonylbenzamide
CID 26904308
2-bromo-N-methyl-N-naphthalen-2-yl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 55332785
N-methyl-N-naphthalen-2-ylnaphthalene-2-carboxamide
CID 26904267
N-naphthalen-2-yl-4-piperidin-1-ylsulfonylbenzamide
CID 4081261
N-naphthalen-2-yl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 2315784
1-naphthalen-2-ylsulfonylpyrrolidine
CID 819722
N-(naphthalen-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 94042960
4-(azepan-1-ylsulfonyl)-N-methyl-N-(2-phenoxyethyl)benzamide
CID 8960788
N-methyl-N-(naphthalen-2-ylmethyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 43024933
4-(methoxymethyl)-N-methyl-N-naphthalen-2-ylbenzamide
CID 51175212
N,N-dimethyl-4-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]benzamide
CID 24580834
N-benzyl-N-ethyl-4-piperidin-1-ylsulfonylbenzamide
CID 9098546

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-ylsulfonyl)-N-methyl-N-naphthalen-2-ylbenzamide?
The IUPAC name of 4-(azepan-1-ylsulfonyl)-N-methyl-N-naphthalen-2-ylbenzamide (CID 26904305) is 4-(azepan-1-ylsulfonyl)-N-methyl-N-naphthalen-2-ylbenzamide.
What is the SMILES notation for 4-(azepan-1-ylsulfonyl)-N-methyl-N-naphthalen-2-ylbenzamide?
The canonical SMILES for 4-(azepan-1-ylsulfonyl)-N-methyl-N-naphthalen-2-ylbenzamide is CN(C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc2ccccc2c1.
What is the InChIKey of 4-(azepan-1-ylsulfonyl)-N-methyl-N-naphthalen-2-ylbenzamide?
The InChIKey is LPXMLJVBIYULNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3S/c1-25(22-13-10-19-8-4-5-9-21(19)18-22)24(27)20-11-14-23(15-12-20)30(28,29)26-16-6-2-3-7-17-26/h4-5,8-15,18H,2-3,6-7,16-17H2,1H3.
What are the key properties of 4-(azepan-1-ylsulfonyl)-N-methyl-N-naphthalen-2-ylbenzamide?
4-(azepan-1-ylsulfonyl)-N-methyl-N-naphthalen-2-ylbenzamide has a molecular weight of 422.55 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-ylsulfonyl)-N-methyl-N-naphthalen-2-ylbenzamide is sourced from PubChem (CID 26904305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).