N-(4-cycloheptyl-4-oxobutyl)-N-(4-cyclohexylphenyl)-4-methoxybenzenesulfonamide

C30H41NO4S — CID 139532545

IUPACN-(4-cycloheptyl-4-oxobutyl)-N-(4-cyclohexylphenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(CCCC(=O)C2CCCCCC2)c2ccc(C3CCCCC3)cc2)cc1
InChIInChI=1S/C30H41NO4S/c1-35-28-19-21-29(22-20-28)36(33,34)31(23-9-14-30(32)26-12-5-2-3-6-13-26)27-17-15-25(16-18-27)24-10-7-4-8-11-24/h15-22,24,26H,2-14,23H2,1H3
InChIKeyYENJHPHZTUCDLE-UHFFFAOYSA-N
MW511.73 g/mol
LogP7.26
Rot. Bonds10

About N-(4-cycloheptyl-4-oxobutyl)-N-(4-cyclohexylphenyl)-4-methoxybenzenesulfonamide

N-(4-cycloheptyl-4-oxobutyl)-N-(4-cyclohexylphenyl)-4-methoxybenzenesulfonamide (PubChem CID 139532545) has the molecular formula C30H41NO4S and a molecular weight of 511.73 g/mol. Its IUPAC name is N-(4-cycloheptyl-4-oxobutyl)-N-(4-cyclohexylphenyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(4-cycloheptyl-4-oxobutyl)-N-(4-cyclohexylphenyl)-4-methoxybenzenesulfonamide
PubChem CID139532545
Molecular FormulaC30H41NO4S
Molecular Weight511.73 g/mol
Exact Mass511.28
IUPAC NameN-(4-cycloheptyl-4-oxobutyl)-N-(4-cyclohexylphenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(CCCC(=O)C2CCCCCC2)c2ccc(C3CCCCC3)cc2)cc1
InChIInChI=1S/C30H41NO4S/c1-35-28-19-21-29(22-20-28)36(33,34)31(23-9-14-30(32)26-12-5-2-3-6-13-26)27-17-15-25(16-18-27)24-10-7-4-8-11-24/h15-22,24,26H,2-14,23H2,1H3
InChIKeyYENJHPHZTUCDLE-UHFFFAOYSA-N
XLogP7.26
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.73
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(4-cycloheptyl-4-oxobutyl)-N-(4-cyclohexylphenyl)-4-methoxybenzenesulfonamide 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-(Diethylamino)benzyl)-4-methoxy-N-(p-tolyl)benzenesulfonamide
CID 71584280
CaMKII inhibitor BSA-9
CID 139532554
N-(1-adamantyl)-N-[[4-(diethylamino)phenyl]methyl]-4-methoxybenzenesulfonamide
CID 71583711
N-(4-ethylphenyl)-N-(2-methylpropyl)-4-(oxan-4-ylmethoxy)benzenesulfonamide
CID 121414113
N-(4-cyclopentyl-4-oxobutyl)-4-methoxy-N-phenylbenzenesulfonamide
CID 139532544
N-benzyl-N-[[4-(diethylamino)phenyl]methyl]-4-methoxybenzenesulfonamide
CID 71623228
N-benzyl-N-[[4-(diethylamino)phenyl]methyl]-4-propan-2-yloxybenzenesulfonamide
CID 71623229
N-[[4-(diethylamino)phenyl]methyl]-4-methoxy-N-phenylbenzenesulfonamide
CID 71624180
N-cyclohexyl-N-[[4-(diethylamino)phenyl]methyl]-4-methoxybenzenesulfonamide
CID 71624303
4-methoxy-N-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]benzenesulfonamide
CID 71624543
N-[[4-(diethylamino)phenyl]methyl]-N-heptyl-4-methoxybenzenesulfonamide
CID 71583941
3-methoxy-N-[4-(3-methoxyphenyl)phenyl]-N-methylbenzenesulfonamide
CID 73357096

Frequently Asked Questions

What is the IUPAC name of N-(4-cycloheptyl-4-oxobutyl)-N-(4-cyclohexylphenyl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(4-cycloheptyl-4-oxobutyl)-N-(4-cyclohexylphenyl)-4-methoxybenzenesulfonamide (CID 139532545) is N-(4-cycloheptyl-4-oxobutyl)-N-(4-cyclohexylphenyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(4-cycloheptyl-4-oxobutyl)-N-(4-cyclohexylphenyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(4-cycloheptyl-4-oxobutyl)-N-(4-cyclohexylphenyl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)N(CCCC(=O)C2CCCCCC2)c2ccc(C3CCCCC3)cc2)cc1.
What is the InChIKey of N-(4-cycloheptyl-4-oxobutyl)-N-(4-cyclohexylphenyl)-4-methoxybenzenesulfonamide?
The InChIKey is YENJHPHZTUCDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41NO4S/c1-35-28-19-21-29(22-20-28)36(33,34)31(23-9-14-30(32)26-12-5-2-3-6-13-26)27-17-15-25(16-18-27)24-10-7-4-8-11-24/h15-22,24,26H,2-14,23H2,1H3.
What are the key properties of N-(4-cycloheptyl-4-oxobutyl)-N-(4-cyclohexylphenyl)-4-methoxybenzenesulfonamide?
N-(4-cycloheptyl-4-oxobutyl)-N-(4-cyclohexylphenyl)-4-methoxybenzenesulfonamide has a molecular weight of 511.73 g/mol, XLogP of 7.26, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cycloheptyl-4-oxobutyl)-N-(4-cyclohexylphenyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 139532545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).