(2R)-2-[(4-chlorophenyl)sulfonyl-ethylamino]-4-methylpentanamide

C14H21ClN2O3S — CID 71456878

IUPAC(2R)-2-[(4-chlorophenyl)sulfonyl-ethylamino]-4-methylpentanamide
SMILESCCN([C@H](CC(C)C)C(N)=O)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O3S/c1-4-17(13(14(16)18)9-10(2)3)21(19,20)12-7-5-11(15)6-8-12/h5-8,10,13H,4,9H2,1-3H3,(H2,16,18)/t13-/m1/s1
InChIKeyXXRBKXPDOWVDBI-CYBMUJFWSA-N
MW332.85 g/mol
LogP2.25
Rot. Bonds7

About (2R)-2-[(4-chlorophenyl)sulfonyl-ethylamino]-4-methylpentanamide

(2R)-2-[(4-chlorophenyl)sulfonyl-ethylamino]-4-methylpentanamide (PubChem CID 71456878) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is (2R)-2-[(4-chlorophenyl)sulfonyl-ethylamino]-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-2-[(4-chlorophenyl)sulfonyl-ethylamino]-4-methylpentanamide
PubChem CID71456878
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC Name(2R)-2-[(4-chlorophenyl)sulfonyl-ethylamino]-4-methylpentanamide
SMILESCCN([C@H](CC(C)C)C(N)=O)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O3S/c1-4-17(13(14(16)18)9-10(2)3)21(19,20)12-7-5-11(15)6-8-12/h5-8,10,13H,4,9H2,1-3H3,(H2,16,18)/t13-/m1/s1
InChIKeyXXRBKXPDOWVDBI-CYBMUJFWSA-N
XLogP2.25
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-chlorophenyl)sulfonyl-ethylamino]-4-methylpentanamide?
The IUPAC name of (2R)-2-[(4-chlorophenyl)sulfonyl-ethylamino]-4-methylpentanamide (CID 71456878) is (2R)-2-[(4-chlorophenyl)sulfonyl-ethylamino]-4-methylpentanamide.
What is the SMILES notation for (2R)-2-[(4-chlorophenyl)sulfonyl-ethylamino]-4-methylpentanamide?
The canonical SMILES for (2R)-2-[(4-chlorophenyl)sulfonyl-ethylamino]-4-methylpentanamide is CCN([C@H](CC(C)C)C(N)=O)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-2-[(4-chlorophenyl)sulfonyl-ethylamino]-4-methylpentanamide?
The InChIKey is XXRBKXPDOWVDBI-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H21ClN2O3S/c1-4-17(13(14(16)18)9-10(2)3)21(19,20)12-7-5-11(15)6-8-12/h5-8,10,13H,4,9H2,1-3H3,(H2,16,18)/t13-/m1/s1.
What are the key properties of (2R)-2-[(4-chlorophenyl)sulfonyl-ethylamino]-4-methylpentanamide?
(2R)-2-[(4-chlorophenyl)sulfonyl-ethylamino]-4-methylpentanamide has a molecular weight of 332.85 g/mol, XLogP of 2.25, 7 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-ethylamino]-4-methylpentanamide is sourced from PubChem (CID 71456878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).