(2R)-2-(3-chloro-4-methylsulfonylphenyl)-N-(5-chloropyrazin-2-yl)-3-(4-hydroxyiminocyclohexyl)propanamide

C20H22Cl2N4O4S — CID 10028337

IUPAC(2R)-2-(3-chloro-4-methylsulfonylphenyl)-N-(5-chloropyrazin-2-yl)-3-(4-hydroxyiminocyclohexyl)propanamide
SMILESCS(=O)(=O)c1ccc([C@@H](CC2CCC(=NO)CC2)C(=O)Nc2cnc(Cl)cn2)cc1Cl
InChIInChI=1S/C20H22Cl2N4O4S/c1-31(29,30)17-7-4-13(9-16(17)21)15(8-12-2-5-14(26-28)6-3-12)20(27)25-19-11-23-18(22)10-24-19/h4,7,9-12,15,28H,2-3,5-6,8H2,1H3,(H,24,25,27)/b26-14-/t12?,15-/m1/s1
InChIKeyUXTHNBRTTHVSCD-SQTDKJGESA-N
MW485.39 g/mol
LogP4.32
Rot. Bonds6

About (2R)-2-(3-chloro-4-methylsulfonylphenyl)-N-(5-chloropyrazin-2-yl)-3-(4-hydroxyiminocyclohexyl)propanamide

(2R)-2-(3-chloro-4-methylsulfonylphenyl)-N-(5-chloropyrazin-2-yl)-3-(4-hydroxyiminocyclohexyl)propanamide (PubChem CID 10028337) has the molecular formula C20H22Cl2N4O4S and a molecular weight of 485.39 g/mol. Its IUPAC name is (2R)-2-(3-chloro-4-methylsulfonylphenyl)-N-(5-chloropyrazin-2-yl)-3-(4-hydroxyiminocyclohexyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(3-chloro-4-methylsulfonylphenyl)-N-(5-chloropyrazin-2-yl)-3-(4-hydroxyiminocyclohexyl)propanamide
PubChem CID10028337
Molecular FormulaC20H22Cl2N4O4S
Molecular Weight485.39 g/mol
Exact Mass484.07
IUPAC Name(2R)-2-(3-chloro-4-methylsulfonylphenyl)-N-(5-chloropyrazin-2-yl)-3-(4-hydroxyiminocyclohexyl)propanamide
SMILESCS(=O)(=O)c1ccc([C@@H](CC2CCC(=NO)CC2)C(=O)Nc2cnc(Cl)cn2)cc1Cl
InChIInChI=1S/C20H22Cl2N4O4S/c1-31(29,30)17-7-4-13(9-16(17)21)15(8-12-2-5-14(26-28)6-3-12)20(27)25-19-11-23-18(22)10-24-19/h4,7,9-12,15,28H,2-3,5-6,8H2,1H3,(H,24,25,27)/b26-14-/t12?,15-/m1/s1
InChIKeyUXTHNBRTTHVSCD-SQTDKJGESA-N
XLogP4.32
TPSA121.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.39
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2R)-2-(3-chloro-4-methylsulfonylphenyl)-N-(5-chloropyrazin-2-yl)-3-(4-hydroxyiminocyclohexyl)propanamide 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-(3-chloro-4-methylsulfonylphenyl)-N-(5-chloropyrazin-2-yl)-3-(4-hydroxyiminocyclohexyl)propanamide?
The IUPAC name of (2R)-2-(3-chloro-4-methylsulfonylphenyl)-N-(5-chloropyrazin-2-yl)-3-(4-hydroxyiminocyclohexyl)propanamide (CID 10028337) is (2R)-2-(3-chloro-4-methylsulfonylphenyl)-N-(5-chloropyrazin-2-yl)-3-(4-hydroxyiminocyclohexyl)propanamide.
What is the SMILES notation for (2R)-2-(3-chloro-4-methylsulfonylphenyl)-N-(5-chloropyrazin-2-yl)-3-(4-hydroxyiminocyclohexyl)propanamide?
The canonical SMILES for (2R)-2-(3-chloro-4-methylsulfonylphenyl)-N-(5-chloropyrazin-2-yl)-3-(4-hydroxyiminocyclohexyl)propanamide is CS(=O)(=O)c1ccc([C@@H](CC2CCC(=NO)CC2)C(=O)Nc2cnc(Cl)cn2)cc1Cl.
What is the InChIKey of (2R)-2-(3-chloro-4-methylsulfonylphenyl)-N-(5-chloropyrazin-2-yl)-3-(4-hydroxyiminocyclohexyl)propanamide?
The InChIKey is UXTHNBRTTHVSCD-SQTDKJGESA-N. The full InChI is InChI=1S/C20H22Cl2N4O4S/c1-31(29,30)17-7-4-13(9-16(17)21)15(8-12-2-5-14(26-28)6-3-12)20(27)25-19-11-23-18(22)10-24-19/h4,7,9-12,15,28H,2-3,5-6,8H2,1H3,(H,24,25,27)/b26-14-/t12?,15-/m1/s1.
What are the key properties of (2R)-2-(3-chloro-4-methylsulfonylphenyl)-N-(5-chloropyrazin-2-yl)-3-(4-hydroxyiminocyclohexyl)propanamide?
(2R)-2-(3-chloro-4-methylsulfonylphenyl)-N-(5-chloropyrazin-2-yl)-3-(4-hydroxyiminocyclohexyl)propanamide has a molecular weight of 485.39 g/mol, XLogP of 4.32, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-chloro-4-methylsulfonylphenyl)-N-(5-chloropyrazin-2-yl)-3-(4-hydroxyiminocyclohexyl)propanamide is sourced from PubChem (CID 10028337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).