4-[benzenesulfonyl(methyl)amino]-N-(1-phenylethyl)butanamide

C19H24N2O3S — CID 132654297

IUPAC4-[benzenesulfonyl(methyl)amino]-N-(1-phenylethyl)butanamide
SMILESCC(NC(=O)CCCN(C)S(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H24N2O3S/c1-16(17-10-5-3-6-11-17)20-19(22)14-9-15-21(2)25(23,24)18-12-7-4-8-13-18/h3-8,10-13,16H,9,14-15H2,1-2H3,(H,20,22)
InChIKeyAYDXIVKGXXIPKG-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.96
Rot. Bonds8

About 4-[benzenesulfonyl(methyl)amino]-N-(1-phenylethyl)butanamide

4-[benzenesulfonyl(methyl)amino]-N-(1-phenylethyl)butanamide (PubChem CID 132654297) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 4-[benzenesulfonyl(methyl)amino]-N-(1-phenylethyl)butanamide.

Molecular Properties

Compound Name4-[benzenesulfonyl(methyl)amino]-N-(1-phenylethyl)butanamide
PubChem CID132654297
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name4-[benzenesulfonyl(methyl)amino]-N-(1-phenylethyl)butanamide
SMILESCC(NC(=O)CCCN(C)S(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H24N2O3S/c1-16(17-10-5-3-6-11-17)20-19(22)14-9-15-21(2)25(23,24)18-12-7-4-8-13-18/h3-8,10-13,16H,9,14-15H2,1-2H3,(H,20,22)
InChIKeyAYDXIVKGXXIPKG-UHFFFAOYSA-N
XLogP2.96
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[benzenesulfonyl(methyl)amino]-N-[(2R)-3-methylbutan-2-yl]butanamide
CID 100570202
N-[1-(4-fluorophenyl)ethyl]-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 46806846
4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]butanamide
CID 42029597
N-[1-(3-chlorophenyl)ethyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]butanamide
CID 18145083
N,N'-bis[(1S)-1-phenylethyl]pentadecanediamide
CID 102132499
4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 24616283
4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(1-phenylbutyl)butanamide
CID 18206824
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 46655665
4-(4-methyl-N-methylsulfonylanilino)-N-[(1S)-1-phenylethyl]butanamide
CID 9172688
4-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]butanamide
CID 119299114
2-[methyl(methylsulfonyl)amino]-N-[(1S)-1-phenylethyl]acetamide
CID 30464380
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(1-phenylethyl)acetamide
CID 2888862

Frequently Asked Questions

What is the IUPAC name of 4-[benzenesulfonyl(methyl)amino]-N-(1-phenylethyl)butanamide?
The IUPAC name of 4-[benzenesulfonyl(methyl)amino]-N-(1-phenylethyl)butanamide (CID 132654297) is 4-[benzenesulfonyl(methyl)amino]-N-(1-phenylethyl)butanamide.
What is the SMILES notation for 4-[benzenesulfonyl(methyl)amino]-N-(1-phenylethyl)butanamide?
The canonical SMILES for 4-[benzenesulfonyl(methyl)amino]-N-(1-phenylethyl)butanamide is CC(NC(=O)CCCN(C)S(=O)(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 4-[benzenesulfonyl(methyl)amino]-N-(1-phenylethyl)butanamide?
The InChIKey is AYDXIVKGXXIPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-16(17-10-5-3-6-11-17)20-19(22)14-9-15-21(2)25(23,24)18-12-7-4-8-13-18/h3-8,10-13,16H,9,14-15H2,1-2H3,(H,20,22).
What are the key properties of 4-[benzenesulfonyl(methyl)amino]-N-(1-phenylethyl)butanamide?
4-[benzenesulfonyl(methyl)amino]-N-(1-phenylethyl)butanamide has a molecular weight of 360.48 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzenesulfonyl(methyl)amino]-N-(1-phenylethyl)butanamide is sourced from PubChem (CID 132654297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).