(2S,5S)-2-(2-chlorophenyl)-5-methyl-N-[(4-methylsulfonylphenyl)methyl]morpholine-4-carboxamide

C20H23ClN2O4S — CID 99806997

IUPAC(2S,5S)-2-(2-chlorophenyl)-5-methyl-N-[(4-methylsulfonylphenyl)methyl]morpholine-4-carboxamide
SMILESC[C@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)NCc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C20H23ClN2O4S/c1-14-13-27-19(17-5-3-4-6-18(17)21)12-23(14)20(24)22-11-15-7-9-16(10-8-15)28(2,25)26/h3-10,14,19H,11-13H2,1-2H3,(H,22,24)/t14-,19+/m0/s1
InChIKeyJZPFCJYYUGUYFZ-IFXJQAMLSA-N
MW422.93 g/mol
LogP3.42
Rot. Bonds4

About (2S,5S)-2-(2-chlorophenyl)-5-methyl-N-[(4-methylsulfonylphenyl)methyl]morpholine-4-carboxamide

(2S,5S)-2-(2-chlorophenyl)-5-methyl-N-[(4-methylsulfonylphenyl)methyl]morpholine-4-carboxamide (PubChem CID 99806997) has the molecular formula C20H23ClN2O4S and a molecular weight of 422.93 g/mol. Its IUPAC name is (2S,5S)-2-(2-chlorophenyl)-5-methyl-N-[(4-methylsulfonylphenyl)methyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(2S,5S)-2-(2-chlorophenyl)-5-methyl-N-[(4-methylsulfonylphenyl)methyl]morpholine-4-carboxamide
PubChem CID99806997
Molecular FormulaC20H23ClN2O4S
Molecular Weight422.93 g/mol
Exact Mass422.11
IUPAC Name(2S,5S)-2-(2-chlorophenyl)-5-methyl-N-[(4-methylsulfonylphenyl)methyl]morpholine-4-carboxamide
SMILESC[C@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)NCc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C20H23ClN2O4S/c1-14-13-27-19(17-5-3-4-6-18(17)21)12-23(14)20(24)22-11-15-7-9-16(10-8-15)28(2,25)26/h3-10,14,19H,11-13H2,1-2H3,(H,22,24)/t14-,19+/m0/s1
InChIKeyJZPFCJYYUGUYFZ-IFXJQAMLSA-N
XLogP3.42
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.93
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S,5S)-2-(2-chlorophenyl)-5-methyl-N-[(4-methylsulfonylphenyl)methyl]morpholine-4-carboxamide 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 (2S,5S)-2-(2-chlorophenyl)-5-methyl-N-[(4-methylsulfonylphenyl)methyl]morpholine-4-carboxamide?
The IUPAC name of (2S,5S)-2-(2-chlorophenyl)-5-methyl-N-[(4-methylsulfonylphenyl)methyl]morpholine-4-carboxamide (CID 99806997) is (2S,5S)-2-(2-chlorophenyl)-5-methyl-N-[(4-methylsulfonylphenyl)methyl]morpholine-4-carboxamide.
What is the SMILES notation for (2S,5S)-2-(2-chlorophenyl)-5-methyl-N-[(4-methylsulfonylphenyl)methyl]morpholine-4-carboxamide?
The canonical SMILES for (2S,5S)-2-(2-chlorophenyl)-5-methyl-N-[(4-methylsulfonylphenyl)methyl]morpholine-4-carboxamide is C[C@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)NCc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of (2S,5S)-2-(2-chlorophenyl)-5-methyl-N-[(4-methylsulfonylphenyl)methyl]morpholine-4-carboxamide?
The InChIKey is JZPFCJYYUGUYFZ-IFXJQAMLSA-N. The full InChI is InChI=1S/C20H23ClN2O4S/c1-14-13-27-19(17-5-3-4-6-18(17)21)12-23(14)20(24)22-11-15-7-9-16(10-8-15)28(2,25)26/h3-10,14,19H,11-13H2,1-2H3,(H,22,24)/t14-,19+/m0/s1.
What are the key properties of (2S,5S)-2-(2-chlorophenyl)-5-methyl-N-[(4-methylsulfonylphenyl)methyl]morpholine-4-carboxamide?
(2S,5S)-2-(2-chlorophenyl)-5-methyl-N-[(4-methylsulfonylphenyl)methyl]morpholine-4-carboxamide has a molecular weight of 422.93 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-2-(2-chlorophenyl)-5-methyl-N-[(4-methylsulfonylphenyl)methyl]morpholine-4-carboxamide is sourced from PubChem (CID 99806997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).