N-(4-cyclohexyl-4-oxobutyl)-4-methoxy-N-phenylbenzenesulfonamide

C23H29NO4S — CID 139532541

IUPACN-(4-cyclohexyl-4-oxobutyl)-4-methoxy-N-phenylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(CCCC(=O)C2CCCCC2)c2ccccc2)cc1
InChIInChI=1S/C23H29NO4S/c1-28-21-14-16-22(17-15-21)29(26,27)24(20-11-6-3-7-12-20)18-8-13-23(25)19-9-4-2-5-10-19/h3,6-7,11-12,14-17,19H,2,4-5,8-10,13,18H2,1H3
InChIKeyUYMRXMYZHDXHRW-UHFFFAOYSA-N
MW415.56 g/mol
LogP4.82
Rot. Bonds9

About N-(4-cyclohexyl-4-oxobutyl)-4-methoxy-N-phenylbenzenesulfonamide

N-(4-cyclohexyl-4-oxobutyl)-4-methoxy-N-phenylbenzenesulfonamide (PubChem CID 139532541) has the molecular formula C23H29NO4S and a molecular weight of 415.56 g/mol. Its IUPAC name is N-(4-cyclohexyl-4-oxobutyl)-4-methoxy-N-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-cyclohexyl-4-oxobutyl)-4-methoxy-N-phenylbenzenesulfonamide
PubChem CID139532541
Molecular FormulaC23H29NO4S
Molecular Weight415.56 g/mol
Exact Mass415.18
IUPAC NameN-(4-cyclohexyl-4-oxobutyl)-4-methoxy-N-phenylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(CCCC(=O)C2CCCCC2)c2ccccc2)cc1
InChIInChI=1S/C23H29NO4S/c1-28-21-14-16-22(17-15-21)29(26,27)24(20-11-6-3-7-12-20)18-8-13-23(25)19-9-4-2-5-10-19/h3,6-7,11-12,14-17,19H,2,4-5,8-10,13,18H2,1H3
InChIKeyUYMRXMYZHDXHRW-UHFFFAOYSA-N
XLogP4.82
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-(Diethylamino)benzyl)-4-methoxy-N-(p-tolyl)benzenesulfonamide
CID 71584280
CaMKII inhibitor BSA-9
CID 139532554
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-(4-cycloheptyl-4-oxobutyl)-N-(4-cyclohexylphenyl)-4-methoxybenzenesulfonamide
CID 139532545
methyl 3-(4-methoxy-N-phenylphenylsulfonamido)propanoate
CID 665700
N-(3-acetylphenyl)-1-[(4-methoxyphenyl)sulfonyl]piperidine-4-carboxamide
CID 1209910
N-(3-acetylphenyl)-1-[(4-methoxyphenyl)sulfonyl]-3-piperidinecarboxamide
CID 2979389
2-(4-methoxyphenyl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 4009667
N-(Cyclohexylmethyl)-4-methoxy-N-(3-(4-phenylpiperazin-1-yl)propyl)benzenesulfonamide
CID 46232588
N-(Cyclohexylmethyl)-N-(3-(4-(4-fluorophenyl)piperazin-1-yl)propyl)-4-methoxybenzenesulfonamide
CID 46232621
N-benzyl-N-[[4-(diethylamino)phenyl]methyl]-4-methoxybenzenesulfonamide
CID 71623228

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexyl-4-oxobutyl)-4-methoxy-N-phenylbenzenesulfonamide?
The IUPAC name of N-(4-cyclohexyl-4-oxobutyl)-4-methoxy-N-phenylbenzenesulfonamide (CID 139532541) is N-(4-cyclohexyl-4-oxobutyl)-4-methoxy-N-phenylbenzenesulfonamide.
What is the SMILES notation for N-(4-cyclohexyl-4-oxobutyl)-4-methoxy-N-phenylbenzenesulfonamide?
The canonical SMILES for N-(4-cyclohexyl-4-oxobutyl)-4-methoxy-N-phenylbenzenesulfonamide is COc1ccc(S(=O)(=O)N(CCCC(=O)C2CCCCC2)c2ccccc2)cc1.
What is the InChIKey of N-(4-cyclohexyl-4-oxobutyl)-4-methoxy-N-phenylbenzenesulfonamide?
The InChIKey is UYMRXMYZHDXHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO4S/c1-28-21-14-16-22(17-15-21)29(26,27)24(20-11-6-3-7-12-20)18-8-13-23(25)19-9-4-2-5-10-19/h3,6-7,11-12,14-17,19H,2,4-5,8-10,13,18H2,1H3.
What are the key properties of N-(4-cyclohexyl-4-oxobutyl)-4-methoxy-N-phenylbenzenesulfonamide?
N-(4-cyclohexyl-4-oxobutyl)-4-methoxy-N-phenylbenzenesulfonamide has a molecular weight of 415.56 g/mol, XLogP of 4.82, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexyl-4-oxobutyl)-4-methoxy-N-phenylbenzenesulfonamide is sourced from PubChem (CID 139532541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).