4-(azepan-1-ylsulfonyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide

C22H35N3O3S — CID 4881417

IUPAC4-(azepan-1-ylsulfonyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide
SMILESCN(C)C1(CNC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)CCCCC1
InChIInChI=1S/C22H35N3O3S/c1-24(2)22(14-6-5-7-15-22)18-23-21(26)19-10-12-20(13-11-19)29(27,28)25-16-8-3-4-9-17-25/h10-13H,3-9,14-18H2,1-2H3,(H,23,26)
InChIKeyGJJBARNUAQGXCS-UHFFFAOYSA-N
MW421.61 g/mol
LogP3.25
Rot. Bonds6

About 4-(azepan-1-ylsulfonyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide

4-(azepan-1-ylsulfonyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide (PubChem CID 4881417) has the molecular formula C22H35N3O3S and a molecular weight of 421.61 g/mol. Its IUPAC name is 4-(azepan-1-ylsulfonyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide.

Molecular Properties

Compound Name4-(azepan-1-ylsulfonyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide
PubChem CID4881417
Molecular FormulaC22H35N3O3S
Molecular Weight421.61 g/mol
Exact Mass421.24
IUPAC Name4-(azepan-1-ylsulfonyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide
SMILESCN(C)C1(CNC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)CCCCC1
InChIInChI=1S/C22H35N3O3S/c1-24(2)22(14-6-5-7-15-22)18-23-21(26)19-10-12-20(13-11-19)29(27,28)25-16-8-3-4-9-17-25/h10-13H,3-9,14-18H2,1-2H3,(H,23,26)
InChIKeyGJJBARNUAQGXCS-UHFFFAOYSA-N
XLogP3.25
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.61
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(azepan-1-ylsulfonyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]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

4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]benzamide
CID 16559256
4-(difluoromethylsulfonyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]benzamide
CID 16572718
N-ethyl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 26264709
4-(azepan-1-ylsulfonyl)-N',N'-dimethylbenzohydrazide
CID 9163758
N-(1-adamantylmethyl)-4-(azepan-1-ylsulfonyl)benzamide
CID 7921319
N-[[1-(dimethylamino)cyclopentyl]methyl]-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 55735491
4-(azepan-1-ylsulfonyl)-N-[2-(tert-butylamino)-2-oxoethyl]benzamide
CID 9049941
4-(chloromethyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide
CID 61251736
dimethyl-[2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]ethyl]azanium
CID 4992823
N-[2-(dimethylamino)-3-methylbutyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 24650096
methyl 2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]acetate
CID 799852
4-(azepan-1-ylsulfonyl)-N-[2-[(4-chlorobenzoyl)amino]ethyl]benzamide
CID 34991413

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-ylsulfonyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide?
The IUPAC name of 4-(azepan-1-ylsulfonyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide (CID 4881417) is 4-(azepan-1-ylsulfonyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide.
What is the SMILES notation for 4-(azepan-1-ylsulfonyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide?
The canonical SMILES for 4-(azepan-1-ylsulfonyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide is CN(C)C1(CNC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)CCCCC1.
What is the InChIKey of 4-(azepan-1-ylsulfonyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide?
The InChIKey is GJJBARNUAQGXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O3S/c1-24(2)22(14-6-5-7-15-22)18-23-21(26)19-10-12-20(13-11-19)29(27,28)25-16-8-3-4-9-17-25/h10-13H,3-9,14-18H2,1-2H3,(H,23,26).
What are the key properties of 4-(azepan-1-ylsulfonyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide?
4-(azepan-1-ylsulfonyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide has a molecular weight of 421.61 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-ylsulfonyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide is sourced from PubChem (CID 4881417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).