(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(2-phenylbutyl)propanamide

C21H27N3O4S — CID 24513086

IUPAC(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(2-phenylbutyl)propanamide
SMILESCCC(CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(NC(C)=O)cc1)c1ccccc1
InChIInChI=1S/C21H27N3O4S/c1-4-17(18-8-6-5-7-9-18)14-22-21(26)15(2)24-29(27,28)20-12-10-19(11-13-20)23-16(3)25/h5-13,15,17,24H,4,14H2,1-3H3,(H,22,26)(H,23,25)/t15-,17?/m0/s1
InChIKeyJLMSBZYSZBRLRF-MYJWUSKBSA-N
MW417.53 g/mol
LogP2.62
Rot. Bonds9

About (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(2-phenylbutyl)propanamide

(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(2-phenylbutyl)propanamide (PubChem CID 24513086) has the molecular formula C21H27N3O4S and a molecular weight of 417.53 g/mol. Its IUPAC name is (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(2-phenylbutyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(2-phenylbutyl)propanamide
PubChem CID24513086
Molecular FormulaC21H27N3O4S
Molecular Weight417.53 g/mol
Exact Mass417.17
IUPAC Name(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(2-phenylbutyl)propanamide
SMILESCCC(CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(NC(C)=O)cc1)c1ccccc1
InChIInChI=1S/C21H27N3O4S/c1-4-17(18-8-6-5-7-9-18)14-22-21(26)15(2)24-29(27,28)20-12-10-19(11-13-20)23-16(3)25/h5-13,15,17,24H,4,14H2,1-3H3,(H,22,26)(H,23,25)/t15-,17?/m0/s1
InChIKeyJLMSBZYSZBRLRF-MYJWUSKBSA-N
XLogP2.62
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-2-(benzenesulfonamido)propanamide
CID 4240198
N-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]acetamide
CID 730422
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(4-ethylphenyl)propanamide
CID 24537281
2-[(4-acetamidophenyl)sulfonylamino]propanoic acid
CID 3393223
N-[4-(butan-2-ylsulfamoyl)phenyl]acetamide
CID 3113473
2-[2-[(4-acetamidophenyl)sulfonylamino]propanoylamino]propanoic acid
CID 119224998
(2R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(2S)-2-phenylbutyl]propanamide
CID 51925027
N-(4-acetamidophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 5125131
2-phenyl-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide
CID 17147291
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]propanamide
CID 24560457
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(7-methyloctyl)propanamide
CID 36618447
(2S)-2-(benzenesulfonamido)-N-phenylpropanamide
CID 41330853

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(2-phenylbutyl)propanamide?
The IUPAC name of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(2-phenylbutyl)propanamide (CID 24513086) is (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(2-phenylbutyl)propanamide.
What is the SMILES notation for (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(2-phenylbutyl)propanamide?
The canonical SMILES for (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(2-phenylbutyl)propanamide is CCC(CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(NC(C)=O)cc1)c1ccccc1.
What is the InChIKey of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(2-phenylbutyl)propanamide?
The InChIKey is JLMSBZYSZBRLRF-MYJWUSKBSA-N. The full InChI is InChI=1S/C21H27N3O4S/c1-4-17(18-8-6-5-7-9-18)14-22-21(26)15(2)24-29(27,28)20-12-10-19(11-13-20)23-16(3)25/h5-13,15,17,24H,4,14H2,1-3H3,(H,22,26)(H,23,25)/t15-,17?/m0/s1.
What are the key properties of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(2-phenylbutyl)propanamide?
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(2-phenylbutyl)propanamide has a molecular weight of 417.53 g/mol, XLogP of 2.62, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(2-phenylbutyl)propanamide is sourced from PubChem (CID 24513086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).