3-[benzenesulfonyl(benzyl)amino]-N-(1-hydroxybutan-2-yl)benzamide

C24H26N2O4S — CID 46182236

IUPAC3-[benzenesulfonyl(benzyl)amino]-N-(1-hydroxybutan-2-yl)benzamide
SMILESCCC(CO)NC(=O)c1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C24H26N2O4S/c1-2-21(18-27)25-24(28)20-12-9-13-22(16-20)26(17-19-10-5-3-6-11-19)31(29,30)23-14-7-4-8-15-23/h3-16,21,27H,2,17-18H2,1H3,(H,25,28)
InChIKeyGWPGGAMWNZPNSX-UHFFFAOYSA-N
MW438.55 g/mol
LogP3.58
Rot. Bonds9

About 3-[benzenesulfonyl(benzyl)amino]-N-(1-hydroxybutan-2-yl)benzamide

3-[benzenesulfonyl(benzyl)amino]-N-(1-hydroxybutan-2-yl)benzamide (PubChem CID 46182236) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is 3-[benzenesulfonyl(benzyl)amino]-N-(1-hydroxybutan-2-yl)benzamide.

Molecular Properties

Compound Name3-[benzenesulfonyl(benzyl)amino]-N-(1-hydroxybutan-2-yl)benzamide
PubChem CID46182236
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC Name3-[benzenesulfonyl(benzyl)amino]-N-(1-hydroxybutan-2-yl)benzamide
SMILESCCC(CO)NC(=O)c1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C24H26N2O4S/c1-2-21(18-27)25-24(28)20-12-9-13-22(16-20)26(17-19-10-5-3-6-11-19)31(29,30)23-14-7-4-8-15-23/h3-16,21,27H,2,17-18H2,1H3,(H,25,28)
InChIKeyGWPGGAMWNZPNSX-UHFFFAOYSA-N
XLogP3.58
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[benzyl-(2-chlorophenyl)sulfamoyl]-N-(1-hydroxybutan-2-yl)benzamide
CID 112771472
3-[(4-acetamidophenyl)sulfonyl-benzylamino]-N-propan-2-ylbenzamide
CID 46182506
3-(benzylsulfamoyl)-N-(1-hydroxybutan-2-yl)benzamide
CID 4227371
3-[benzenesulfonyl(benzyl)amino]-N-(4-carbamoylphenyl)benzamide
CID 68619894
N-pentan-3-yl-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 2623054
3-[benzyl(phenyl)sulfamoyl]-N-methoxybenzamide
CID 33098006
N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 13129547
N-[(2R)-1-hydroxybutan-2-yl]-3-(methoxymethyl)benzamide
CID 93033627
3-[benzyl(phenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide
CID 35810494
3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-pentan-2-ylbenzamide
CID 4832234
3-[benzenesulfonyl(benzyl)amino]-N-tert-butylbenzamide;3-[benzenesulfonyl(benzyl)amino]-N-methylbenzamide;3-[benzenesulfonyl(benzyl)amino]-N-(3-phenylpropyl)benzamide
CID 158844600
4-[[N-(benzenesulfonyl)anilino]methyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 94019026

Frequently Asked Questions

What is the IUPAC name of 3-[benzenesulfonyl(benzyl)amino]-N-(1-hydroxybutan-2-yl)benzamide?
The IUPAC name of 3-[benzenesulfonyl(benzyl)amino]-N-(1-hydroxybutan-2-yl)benzamide (CID 46182236) is 3-[benzenesulfonyl(benzyl)amino]-N-(1-hydroxybutan-2-yl)benzamide.
What is the SMILES notation for 3-[benzenesulfonyl(benzyl)amino]-N-(1-hydroxybutan-2-yl)benzamide?
The canonical SMILES for 3-[benzenesulfonyl(benzyl)amino]-N-(1-hydroxybutan-2-yl)benzamide is CCC(CO)NC(=O)c1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 3-[benzenesulfonyl(benzyl)amino]-N-(1-hydroxybutan-2-yl)benzamide?
The InChIKey is GWPGGAMWNZPNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-2-21(18-27)25-24(28)20-12-9-13-22(16-20)26(17-19-10-5-3-6-11-19)31(29,30)23-14-7-4-8-15-23/h3-16,21,27H,2,17-18H2,1H3,(H,25,28).
What are the key properties of 3-[benzenesulfonyl(benzyl)amino]-N-(1-hydroxybutan-2-yl)benzamide?
3-[benzenesulfonyl(benzyl)amino]-N-(1-hydroxybutan-2-yl)benzamide has a molecular weight of 438.55 g/mol, XLogP of 3.58, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzenesulfonyl(benzyl)amino]-N-(1-hydroxybutan-2-yl)benzamide is sourced from PubChem (CID 46182236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).