(2R)-2-[(4-chlorophenyl)sulfonyl-(3-phenylpropyl)amino]-4-methylpentanamide

C21H27ClN2O3S — CID 71456880

IUPAC(2R)-2-[(4-chlorophenyl)sulfonyl-(3-phenylpropyl)amino]-4-methylpentanamide
SMILESCC(C)C[C@H](C(N)=O)N(CCCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H27ClN2O3S/c1-16(2)15-20(21(23)25)24(14-6-9-17-7-4-3-5-8-17)28(26,27)19-12-10-18(22)11-13-19/h3-5,7-8,10-13,16,20H,6,9,14-15H2,1-2H3,(H2,23,25)/t20-/m1/s1
InChIKeyDJNCUYNIAMTFKA-HXUWFJFHSA-N
MW422.98 g/mol
LogP3.86
Rot. Bonds10

About (2R)-2-[(4-chlorophenyl)sulfonyl-(3-phenylpropyl)amino]-4-methylpentanamide

(2R)-2-[(4-chlorophenyl)sulfonyl-(3-phenylpropyl)amino]-4-methylpentanamide (PubChem CID 71456880) has the molecular formula C21H27ClN2O3S and a molecular weight of 422.98 g/mol. Its IUPAC name is (2R)-2-[(4-chlorophenyl)sulfonyl-(3-phenylpropyl)amino]-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-2-[(4-chlorophenyl)sulfonyl-(3-phenylpropyl)amino]-4-methylpentanamide
PubChem CID71456880
Molecular FormulaC21H27ClN2O3S
Molecular Weight422.98 g/mol
Exact Mass422.14
IUPAC Name(2R)-2-[(4-chlorophenyl)sulfonyl-(3-phenylpropyl)amino]-4-methylpentanamide
SMILESCC(C)C[C@H](C(N)=O)N(CCCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H27ClN2O3S/c1-16(2)15-20(21(23)25)24(14-6-9-17-7-4-3-5-8-17)28(26,27)19-12-10-18(22)11-13-19/h3-5,7-8,10-13,16,20H,6,9,14-15H2,1-2H3,(H2,23,25)/t20-/m1/s1
InChIKeyDJNCUYNIAMTFKA-HXUWFJFHSA-N
XLogP3.86
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.98
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[(4-chlorophenyl)sulfonyl-(3-phenylpropyl)amino]-4-methylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-chlorophenyl)sulfonyl-(3-phenylpropyl)amino]-4-methylpentanamide?
The IUPAC name of (2R)-2-[(4-chlorophenyl)sulfonyl-(3-phenylpropyl)amino]-4-methylpentanamide (CID 71456880) is (2R)-2-[(4-chlorophenyl)sulfonyl-(3-phenylpropyl)amino]-4-methylpentanamide.
What is the SMILES notation for (2R)-2-[(4-chlorophenyl)sulfonyl-(3-phenylpropyl)amino]-4-methylpentanamide?
The canonical SMILES for (2R)-2-[(4-chlorophenyl)sulfonyl-(3-phenylpropyl)amino]-4-methylpentanamide is CC(C)C[C@H](C(N)=O)N(CCCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-2-[(4-chlorophenyl)sulfonyl-(3-phenylpropyl)amino]-4-methylpentanamide?
The InChIKey is DJNCUYNIAMTFKA-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H27ClN2O3S/c1-16(2)15-20(21(23)25)24(14-6-9-17-7-4-3-5-8-17)28(26,27)19-12-10-18(22)11-13-19/h3-5,7-8,10-13,16,20H,6,9,14-15H2,1-2H3,(H2,23,25)/t20-/m1/s1.
What are the key properties of (2R)-2-[(4-chlorophenyl)sulfonyl-(3-phenylpropyl)amino]-4-methylpentanamide?
(2R)-2-[(4-chlorophenyl)sulfonyl-(3-phenylpropyl)amino]-4-methylpentanamide has a molecular weight of 422.98 g/mol, XLogP of 3.86, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-chlorophenyl)sulfonyl-(3-phenylpropyl)amino]-4-methylpentanamide is sourced from PubChem (CID 71456880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).