(3R)-3-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[5-(1,3-dihydroxypropan-2-yl)pyrazin-2-yl]propanamide

C22H28ClN3O5S — CID 174491550

IUPAC(3R)-3-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[5-(1,3-dihydroxypropan-2-yl)pyrazin-2-yl]propanamide
SMILESCS(=O)(=O)c1ccc([C@H](CC(=O)Nc2cnc(C(CO)CO)cn2)C2CCCC2)cc1Cl
InChIInChI=1S/C22H28ClN3O5S/c1-32(30,31)20-7-6-15(8-18(20)23)17(14-4-2-3-5-14)9-22(29)26-21-11-24-19(10-25-21)16(12-27)13-28/h6-8,10-11,14,16-17,27-28H,2-5,9,12-13H2,1H3,(H,25,26,29)/t17-/m1/s1
InChIKeyKGXHYUPAWPBOEM-QGZVFWFLSA-N
MW482.00 g/mol
LogP2.90
Rot. Bonds9

About (3R)-3-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[5-(1,3-dihydroxypropan-2-yl)pyrazin-2-yl]propanamide

(3R)-3-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[5-(1,3-dihydroxypropan-2-yl)pyrazin-2-yl]propanamide (PubChem CID 174491550) has the molecular formula C22H28ClN3O5S and a molecular weight of 482.00 g/mol. Its IUPAC name is (3R)-3-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[5-(1,3-dihydroxypropan-2-yl)pyrazin-2-yl]propanamide.

Molecular Properties

Compound Name(3R)-3-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[5-(1,3-dihydroxypropan-2-yl)pyrazin-2-yl]propanamide
PubChem CID174491550
Molecular FormulaC22H28ClN3O5S
Molecular Weight482.00 g/mol
Exact Mass481.14
IUPAC Name(3R)-3-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[5-(1,3-dihydroxypropan-2-yl)pyrazin-2-yl]propanamide
SMILESCS(=O)(=O)c1ccc([C@H](CC(=O)Nc2cnc(C(CO)CO)cn2)C2CCCC2)cc1Cl
InChIInChI=1S/C22H28ClN3O5S/c1-32(30,31)20-7-6-15(8-18(20)23)17(14-4-2-3-5-14)9-22(29)26-21-11-24-19(10-25-21)16(12-27)13-28/h6-8,10-11,14,16-17,27-28H,2-5,9,12-13H2,1H3,(H,25,26,29)/t17-/m1/s1
InChIKeyKGXHYUPAWPBOEM-QGZVFWFLSA-N
XLogP2.90
TPSA129.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.00
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (3R)-3-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[5-(1,3-dihydroxypropan-2-yl)pyrazin-2-yl]propanamide with MolForge

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

Launch Full Analysis

Related Compounds

3-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[5-(methylsulfonylmethyl)pyrazin-2-yl]propanamide
CID 91313126
(3R)-3-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[5-(2,2-dimethoxyethyl)pyrazin-2-yl]propanamide
CID 174478253
3-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[5-(methylsulfinylmethyl)pyrazin-2-yl]propanamide
CID 90969352
3-(3-chloro-4-methylsulfonylphenyl)-N-(5-cyano-2-pyridinyl)-3-cyclopentylpropanamide
CID 90861438
(3R)-3-(3-chloro-4-methylsulfonylphenyl)-3-(4-hydroxyiminocyclohexyl)-N-(5-methylpyrazin-2-yl)propanamide
CID 174437054
3-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-3-yl]propanamide
CID 91030543
2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[5-(1-hydroxy-2-methylpropyl)pyrazin-2-yl]propanamide
CID 10345068
(2R)-N-[5-(2-amino-1-hydroxy-2-oxoethyl)pyrazin-2-yl]-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentylpropanamide
CID 10322924
2-(3-chloro-4-methylsulfonylphenyl)-N-[5-[cyano(hydroxy)methyl]pyrazin-2-yl]-3-cyclopentylpropanamide
CID 85082157
(2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[5-(methylsulfonylmethyl)pyrazin-2-yl]propanamide
CID 10051679
(2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]propanamide
CID 71169865
2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[5-(furan-3-yl)pyrazin-2-yl]propanamide
CID 67482682

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[5-(1,3-dihydroxypropan-2-yl)pyrazin-2-yl]propanamide?
The IUPAC name of (3R)-3-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[5-(1,3-dihydroxypropan-2-yl)pyrazin-2-yl]propanamide (CID 174491550) is (3R)-3-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[5-(1,3-dihydroxypropan-2-yl)pyrazin-2-yl]propanamide.
What is the SMILES notation for (3R)-3-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[5-(1,3-dihydroxypropan-2-yl)pyrazin-2-yl]propanamide?
The canonical SMILES for (3R)-3-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[5-(1,3-dihydroxypropan-2-yl)pyrazin-2-yl]propanamide is CS(=O)(=O)c1ccc([C@H](CC(=O)Nc2cnc(C(CO)CO)cn2)C2CCCC2)cc1Cl.
What is the InChIKey of (3R)-3-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[5-(1,3-dihydroxypropan-2-yl)pyrazin-2-yl]propanamide?
The InChIKey is KGXHYUPAWPBOEM-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H28ClN3O5S/c1-32(30,31)20-7-6-15(8-18(20)23)17(14-4-2-3-5-14)9-22(29)26-21-11-24-19(10-25-21)16(12-27)13-28/h6-8,10-11,14,16-17,27-28H,2-5,9,12-13H2,1H3,(H,25,26,29)/t17-/m1/s1.
What are the key properties of (3R)-3-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[5-(1,3-dihydroxypropan-2-yl)pyrazin-2-yl]propanamide?
(3R)-3-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[5-(1,3-dihydroxypropan-2-yl)pyrazin-2-yl]propanamide has a molecular weight of 482.00 g/mol, XLogP of 2.90, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[5-(1,3-dihydroxypropan-2-yl)pyrazin-2-yl]propanamide is sourced from PubChem (CID 174491550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).