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

C22H27NO4S — CID 139532544

IUPACN-(4-cyclopentyl-4-oxobutyl)-4-methoxy-N-phenylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(CCCC(=O)C2CCCC2)c2ccccc2)cc1
InChIInChI=1S/C22H27NO4S/c1-27-20-13-15-21(16-14-20)28(25,26)23(19-10-3-2-4-11-19)17-7-12-22(24)18-8-5-6-9-18/h2-4,10-11,13-16,18H,5-9,12,17H2,1H3
InChIKeyVSNSVXAEVXTUID-UHFFFAOYSA-N
MW401.53 g/mol
LogP4.43
Rot. Bonds9

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

N-(4-cyclopentyl-4-oxobutyl)-4-methoxy-N-phenylbenzenesulfonamide (PubChem CID 139532544) has the molecular formula C22H27NO4S and a molecular weight of 401.53 g/mol. Its IUPAC name is N-(4-cyclopentyl-4-oxobutyl)-4-methoxy-N-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-cyclopentyl-4-oxobutyl)-4-methoxy-N-phenylbenzenesulfonamide
PubChem CID139532544
Molecular FormulaC22H27NO4S
Molecular Weight401.53 g/mol
Exact Mass401.17
IUPAC NameN-(4-cyclopentyl-4-oxobutyl)-4-methoxy-N-phenylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(CCCC(=O)C2CCCC2)c2ccccc2)cc1
InChIInChI=1S/C22H27NO4S/c1-27-20-13-15-21(16-14-20)28(25,26)23(19-10-3-2-4-11-19)17-7-12-22(24)18-8-5-6-9-18/h2-4,10-11,13-16,18H,5-9,12,17H2,1H3
InChIKeyVSNSVXAEVXTUID-UHFFFAOYSA-N
XLogP4.43
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 54.43
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
1-[(4-Methoxyphenyl)sulfonyl]-2-methylindoline
CID 2989329
N-(4-ethylphenyl)-N-(2-methylpropyl)-4-(oxan-4-ylmethoxy)benzenesulfonamide
CID 121414113
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-(Cyclohexylmethyl)-4-methoxy-N-(3-(4-phenylpiperazin-1-yl)propyl)benzenesulfonamide
CID 46232588
N-benzyl-N-[[4-(diethylamino)phenyl]methyl]-4-methoxybenzenesulfonamide
CID 71623228
N-[[4-(diethylamino)phenyl]methyl]-4-methoxy-N-phenylbenzenesulfonamide
CID 71624180
N-[[4-(diethylamino)phenyl]methyl]-N-heptyl-4-methoxybenzenesulfonamide
CID 71583941
N-ethyl-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 839251

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopentyl-4-oxobutyl)-4-methoxy-N-phenylbenzenesulfonamide?
The IUPAC name of N-(4-cyclopentyl-4-oxobutyl)-4-methoxy-N-phenylbenzenesulfonamide (CID 139532544) is N-(4-cyclopentyl-4-oxobutyl)-4-methoxy-N-phenylbenzenesulfonamide.
What is the SMILES notation for N-(4-cyclopentyl-4-oxobutyl)-4-methoxy-N-phenylbenzenesulfonamide?
The canonical SMILES for N-(4-cyclopentyl-4-oxobutyl)-4-methoxy-N-phenylbenzenesulfonamide is COc1ccc(S(=O)(=O)N(CCCC(=O)C2CCCC2)c2ccccc2)cc1.
What is the InChIKey of N-(4-cyclopentyl-4-oxobutyl)-4-methoxy-N-phenylbenzenesulfonamide?
The InChIKey is VSNSVXAEVXTUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO4S/c1-27-20-13-15-21(16-14-20)28(25,26)23(19-10-3-2-4-11-19)17-7-12-22(24)18-8-5-6-9-18/h2-4,10-11,13-16,18H,5-9,12,17H2,1H3.
What are the key properties of N-(4-cyclopentyl-4-oxobutyl)-4-methoxy-N-phenylbenzenesulfonamide?
N-(4-cyclopentyl-4-oxobutyl)-4-methoxy-N-phenylbenzenesulfonamide has a molecular weight of 401.53 g/mol, XLogP of 4.43, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopentyl-4-oxobutyl)-4-methoxy-N-phenylbenzenesulfonamide is sourced from PubChem (CID 139532544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).