(2S)-N-butyl-2-[(4-chlorophenyl)sulfonylamino]-3-phenylpropanamide

C19H23ClN2O3S — CID 40601003

IUPAC(2S)-N-butyl-2-[(4-chlorophenyl)sulfonylamino]-3-phenylpropanamide
SMILESCCCCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H23ClN2O3S/c1-2-3-13-21-19(23)18(14-15-7-5-4-6-8-15)22-26(24,25)17-11-9-16(20)10-12-17/h4-12,18,22H,2-3,13-14H2,1H3,(H,21,23)/t18-/m0/s1
InChIKeyZOIRCRUGVLBNCD-SFHVURJKSA-N
MW394.92 g/mol
LogP3.15
Rot. Bonds9

About (2S)-N-butyl-2-[(4-chlorophenyl)sulfonylamino]-3-phenylpropanamide

(2S)-N-butyl-2-[(4-chlorophenyl)sulfonylamino]-3-phenylpropanamide (PubChem CID 40601003) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is (2S)-N-butyl-2-[(4-chlorophenyl)sulfonylamino]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-N-butyl-2-[(4-chlorophenyl)sulfonylamino]-3-phenylpropanamide
PubChem CID40601003
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC Name(2S)-N-butyl-2-[(4-chlorophenyl)sulfonylamino]-3-phenylpropanamide
SMILESCCCCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H23ClN2O3S/c1-2-3-13-21-19(23)18(14-15-7-5-4-6-8-15)22-26(24,25)17-11-9-16(20)10-12-17/h4-12,18,22H,2-3,13-14H2,1H3,(H,21,23)/t18-/m0/s1
InChIKeyZOIRCRUGVLBNCD-SFHVURJKSA-N
XLogP3.15
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-propylpropanamide
CID 7030623
(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-ethyl-3-phenylpropanamide
CID 41374224
2-[(4-fluorophenyl)sulfonylamino]-N-heptyl-3-phenylpropanamide
CID 20967531
ethyl 2-[(4-chlorophenyl)sulfonylamino]-3-phenylpropanoate
CID 5004126
(2S)-N-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 41374144
2-[(4-chlorophenyl)sulfonylamino]-N-(4-ethylphenyl)-3-phenylpropanamide
CID 5108228
(2S)-2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 28561823
(2R)-N-(4-acetamidophenyl)-2-[(4-chlorophenyl)sulfonylamino]-3-phenylpropanamide
CID 40931965
(2S)-N-butyl-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 28541468
(2R)-N-[(4-chlorophenyl)methyl]-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 30167399
(2R)-2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-(4-sulfamoylphenyl)propanamide
CID 41374475
(2R)-2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-[(1S)-1-phenylethyl]propanamide
CID 41374254

Frequently Asked Questions

What is the IUPAC name of (2S)-N-butyl-2-[(4-chlorophenyl)sulfonylamino]-3-phenylpropanamide?
The IUPAC name of (2S)-N-butyl-2-[(4-chlorophenyl)sulfonylamino]-3-phenylpropanamide (CID 40601003) is (2S)-N-butyl-2-[(4-chlorophenyl)sulfonylamino]-3-phenylpropanamide.
What is the SMILES notation for (2S)-N-butyl-2-[(4-chlorophenyl)sulfonylamino]-3-phenylpropanamide?
The canonical SMILES for (2S)-N-butyl-2-[(4-chlorophenyl)sulfonylamino]-3-phenylpropanamide is CCCCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2S)-N-butyl-2-[(4-chlorophenyl)sulfonylamino]-3-phenylpropanamide?
The InChIKey is ZOIRCRUGVLBNCD-SFHVURJKSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-2-3-13-21-19(23)18(14-15-7-5-4-6-8-15)22-26(24,25)17-11-9-16(20)10-12-17/h4-12,18,22H,2-3,13-14H2,1H3,(H,21,23)/t18-/m0/s1.
What are the key properties of (2S)-N-butyl-2-[(4-chlorophenyl)sulfonylamino]-3-phenylpropanamide?
(2S)-N-butyl-2-[(4-chlorophenyl)sulfonylamino]-3-phenylpropanamide has a molecular weight of 394.92 g/mol, XLogP of 3.15, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-butyl-2-[(4-chlorophenyl)sulfonylamino]-3-phenylpropanamide is sourced from PubChem (CID 40601003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).