(2R)-2-[(4-chlorophenyl)sulfonyl-[(2-methoxyphenyl)methyl]amino]-4-methylpentanamide

C20H25ClN2O4S — CID 71456881

IUPAC(2R)-2-[(4-chlorophenyl)sulfonyl-[(2-methoxyphenyl)methyl]amino]-4-methylpentanamide
SMILESCOc1ccccc1CN([C@H](CC(C)C)C(N)=O)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H25ClN2O4S/c1-14(2)12-18(20(22)24)23(13-15-6-4-5-7-19(15)27-3)28(25,26)17-10-8-16(21)9-11-17/h4-11,14,18H,12-13H2,1-3H3,(H2,22,24)/t18-/m1/s1
InChIKeyXTFRNTAYMUOJCA-GOSISDBHSA-N
MW424.95 g/mol
LogP3.44
Rot. Bonds9

About (2R)-2-[(4-chlorophenyl)sulfonyl-[(2-methoxyphenyl)methyl]amino]-4-methylpentanamide

(2R)-2-[(4-chlorophenyl)sulfonyl-[(2-methoxyphenyl)methyl]amino]-4-methylpentanamide (PubChem CID 71456881) has the molecular formula C20H25ClN2O4S and a molecular weight of 424.95 g/mol. Its IUPAC name is (2R)-2-[(4-chlorophenyl)sulfonyl-[(2-methoxyphenyl)methyl]amino]-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-2-[(4-chlorophenyl)sulfonyl-[(2-methoxyphenyl)methyl]amino]-4-methylpentanamide
PubChem CID71456881
Molecular FormulaC20H25ClN2O4S
Molecular Weight424.95 g/mol
Exact Mass424.12
IUPAC Name(2R)-2-[(4-chlorophenyl)sulfonyl-[(2-methoxyphenyl)methyl]amino]-4-methylpentanamide
SMILESCOc1ccccc1CN([C@H](CC(C)C)C(N)=O)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H25ClN2O4S/c1-14(2)12-18(20(22)24)23(13-15-6-4-5-7-19(15)27-3)28(25,26)17-10-8-16(21)9-11-17/h4-11,14,18H,12-13H2,1-3H3,(H2,22,24)/t18-/m1/s1
InChIKeyXTFRNTAYMUOJCA-GOSISDBHSA-N
XLogP3.44
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.95
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[(4-chlorophenyl)sulfonyl-[(2-methoxyphenyl)methyl]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-[(2-methoxyphenyl)methyl]amino]-4-methylpentanamide?
The IUPAC name of (2R)-2-[(4-chlorophenyl)sulfonyl-[(2-methoxyphenyl)methyl]amino]-4-methylpentanamide (CID 71456881) is (2R)-2-[(4-chlorophenyl)sulfonyl-[(2-methoxyphenyl)methyl]amino]-4-methylpentanamide.
What is the SMILES notation for (2R)-2-[(4-chlorophenyl)sulfonyl-[(2-methoxyphenyl)methyl]amino]-4-methylpentanamide?
The canonical SMILES for (2R)-2-[(4-chlorophenyl)sulfonyl-[(2-methoxyphenyl)methyl]amino]-4-methylpentanamide is COc1ccccc1CN([C@H](CC(C)C)C(N)=O)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-2-[(4-chlorophenyl)sulfonyl-[(2-methoxyphenyl)methyl]amino]-4-methylpentanamide?
The InChIKey is XTFRNTAYMUOJCA-GOSISDBHSA-N. The full InChI is InChI=1S/C20H25ClN2O4S/c1-14(2)12-18(20(22)24)23(13-15-6-4-5-7-19(15)27-3)28(25,26)17-10-8-16(21)9-11-17/h4-11,14,18H,12-13H2,1-3H3,(H2,22,24)/t18-/m1/s1.
What are the key properties of (2R)-2-[(4-chlorophenyl)sulfonyl-[(2-methoxyphenyl)methyl]amino]-4-methylpentanamide?
(2R)-2-[(4-chlorophenyl)sulfonyl-[(2-methoxyphenyl)methyl]amino]-4-methylpentanamide has a molecular weight of 424.95 g/mol, XLogP of 3.44, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-chlorophenyl)sulfonyl-[(2-methoxyphenyl)methyl]amino]-4-methylpentanamide is sourced from PubChem (CID 71456881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).