3-(benzenesulfonamido)-N-(4-phenylbutan-2-yl)propanamide

C19H24N2O3S — CID 17225917

IUPAC3-(benzenesulfonamido)-N-(4-phenylbutan-2-yl)propanamide
SMILESCC(CCc1ccccc1)NC(=O)CCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C19H24N2O3S/c1-16(12-13-17-8-4-2-5-9-17)21-19(22)14-15-20-25(23,24)18-10-6-3-7-11-18/h2-11,16,20H,12-15H2,1H3,(H,21,22)
InChIKeyNRWXPJJXNVQNJE-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.49
Rot. Bonds9

About 3-(benzenesulfonamido)-N-(4-phenylbutan-2-yl)propanamide

3-(benzenesulfonamido)-N-(4-phenylbutan-2-yl)propanamide (PubChem CID 17225917) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-(4-phenylbutan-2-yl)propanamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-(4-phenylbutan-2-yl)propanamide
PubChem CID17225917
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name3-(benzenesulfonamido)-N-(4-phenylbutan-2-yl)propanamide
SMILESCC(CCc1ccccc1)NC(=O)CCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C19H24N2O3S/c1-16(12-13-17-8-4-2-5-9-17)21-19(22)14-15-20-25(23,24)18-10-6-3-7-11-18/h2-11,16,20H,12-15H2,1H3,(H,21,22)
InChIKeyNRWXPJJXNVQNJE-UHFFFAOYSA-N
XLogP2.49
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(naphthalen-2-ylsulfonylamino)-N-(4-phenylbutan-2-yl)propanamide
CID 46522158
N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928
N,N'-bis[(2R)-4-phenylbutan-2-yl]hexanediamide
CID 7406180
N-(1-phenylethyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 4166860
3-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]sulfanyl-N-(4-phenylbutan-2-yl)propanamide
CID 4172358
4-oxo-4-[[(2S)-4-phenylbutan-2-yl]amino]butanoate
CID 2223864
3-(4-methylphenyl)sulfonyl-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 9164941
3-oxo-3-(4-phenylbutan-2-ylamino)propanoic acid
CID 55049062
3-(benzenesulfonamido)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 43005594
3-(benzenesulfonamido)-N-(4-propylphenyl)propanamide
CID 18128082
3-[3-[(3-bromophenyl)sulfonylamino]propanoylamino]butanoic acid
CID 119220969
3-[4-(diethylsulfamoyl)phenyl]-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 29206514

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-(4-phenylbutan-2-yl)propanamide?
The IUPAC name of 3-(benzenesulfonamido)-N-(4-phenylbutan-2-yl)propanamide (CID 17225917) is 3-(benzenesulfonamido)-N-(4-phenylbutan-2-yl)propanamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-(4-phenylbutan-2-yl)propanamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-(4-phenylbutan-2-yl)propanamide is CC(CCc1ccccc1)NC(=O)CCNS(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonamido)-N-(4-phenylbutan-2-yl)propanamide?
The InChIKey is NRWXPJJXNVQNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-16(12-13-17-8-4-2-5-9-17)21-19(22)14-15-20-25(23,24)18-10-6-3-7-11-18/h2-11,16,20H,12-15H2,1H3,(H,21,22).
What are the key properties of 3-(benzenesulfonamido)-N-(4-phenylbutan-2-yl)propanamide?
3-(benzenesulfonamido)-N-(4-phenylbutan-2-yl)propanamide has a molecular weight of 360.48 g/mol, XLogP of 2.49, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-(4-phenylbutan-2-yl)propanamide is sourced from PubChem (CID 17225917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).