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

C21H25NO4S — CID 139532553

IUPACN-(4-cyclobutyl-4-oxobutyl)-4-methoxy-N-phenylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(CCCC(=O)C2CCC2)c2ccccc2)cc1
InChIInChI=1S/C21H25NO4S/c1-26-19-12-14-20(15-13-19)27(24,25)22(18-9-3-2-4-10-18)16-6-11-21(23)17-7-5-8-17/h2-4,9-10,12-15,17H,5-8,11,16H2,1H3
InChIKeyMPLYDNKSSFKNQI-UHFFFAOYSA-N
MW387.50 g/mol
LogP4.04
Rot. Bonds9

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

N-(4-cyclobutyl-4-oxobutyl)-4-methoxy-N-phenylbenzenesulfonamide (PubChem CID 139532553) has the molecular formula C21H25NO4S and a molecular weight of 387.50 g/mol. Its IUPAC name is N-(4-cyclobutyl-4-oxobutyl)-4-methoxy-N-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-cyclobutyl-4-oxobutyl)-4-methoxy-N-phenylbenzenesulfonamide
PubChem CID139532553
Molecular FormulaC21H25NO4S
Molecular Weight387.50 g/mol
Exact Mass387.15
IUPAC NameN-(4-cyclobutyl-4-oxobutyl)-4-methoxy-N-phenylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(CCCC(=O)C2CCC2)c2ccccc2)cc1
InChIInChI=1S/C21H25NO4S/c1-26-19-12-14-20(15-13-19)27(24,25)22(18-9-3-2-4-10-18)16-6-11-21(23)17-7-5-8-17/h2-4,9-10,12-15,17H,5-8,11,16H2,1H3
InChIKeyMPLYDNKSSFKNQI-UHFFFAOYSA-N
XLogP4.04
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.50
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-adamantyl)-4-oxobutyl]-4-methoxy-N-phenylbenzenesulfonamide
CID 161310373
N-butyl-N-(4-methoxyphenyl)benzenesulfonamide
CID 35766210
N-[2-(azepan-1-yl)-2-oxoethyl]-4-methoxy-N-phenylbenzenesulfonamide
CID 1138674
N-cyclohexyl-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 1100054
[4-[ethyl(phenyl)sulfamoyl]phenyl] cyclopentanecarboxylate
CID 8502968
N-[3-(N-(4-chlorophenyl)sulfonylanilino)propyl]cyclobutanecarboxamide
CID 42703053
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-cyclohexyl-N-methylacetamide
CID 42979745
N-[(2S)-2-hydroxypropyl]-4-methoxy-N-phenylbenzenesulfonamide
CID 94818649
4-(N-(4-chlorophenyl)sulfonyl-3-methoxyanilino)butanoic acid
CID 50891498
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 1148691
N-(4-methoxyphenyl)-N-(2-phenoxyethyl)benzenesulfonamide
CID 4793747
1-cyclopentyl-4-(4-methoxyphenyl)butan-1-one
CID 113390085

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclobutyl-4-oxobutyl)-4-methoxy-N-phenylbenzenesulfonamide?
The IUPAC name of N-(4-cyclobutyl-4-oxobutyl)-4-methoxy-N-phenylbenzenesulfonamide (CID 139532553) is N-(4-cyclobutyl-4-oxobutyl)-4-methoxy-N-phenylbenzenesulfonamide.
What is the SMILES notation for N-(4-cyclobutyl-4-oxobutyl)-4-methoxy-N-phenylbenzenesulfonamide?
The canonical SMILES for N-(4-cyclobutyl-4-oxobutyl)-4-methoxy-N-phenylbenzenesulfonamide is COc1ccc(S(=O)(=O)N(CCCC(=O)C2CCC2)c2ccccc2)cc1.
What is the InChIKey of N-(4-cyclobutyl-4-oxobutyl)-4-methoxy-N-phenylbenzenesulfonamide?
The InChIKey is MPLYDNKSSFKNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4S/c1-26-19-12-14-20(15-13-19)27(24,25)22(18-9-3-2-4-10-18)16-6-11-21(23)17-7-5-8-17/h2-4,9-10,12-15,17H,5-8,11,16H2,1H3.
What are the key properties of N-(4-cyclobutyl-4-oxobutyl)-4-methoxy-N-phenylbenzenesulfonamide?
N-(4-cyclobutyl-4-oxobutyl)-4-methoxy-N-phenylbenzenesulfonamide has a molecular weight of 387.50 g/mol, XLogP of 4.04, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclobutyl-4-oxobutyl)-4-methoxy-N-phenylbenzenesulfonamide is sourced from PubChem (CID 139532553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).