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

C22H28ClN3O5S — CID 69361210

IUPAC(2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[3-(1,3-dihydroxypropan-2-yl)pyrazin-2-yl]propanamide
SMILESCS(=O)(=O)c1ccc([C@@H](CC2CCCC2)C(=O)Nc2nccnc2C(CO)CO)cc1Cl
InChIInChI=1S/C22H28ClN3O5S/c1-32(30,31)19-7-6-15(11-18(19)23)17(10-14-4-2-3-5-14)22(29)26-21-20(16(12-27)13-28)24-8-9-25-21/h6-9,11,14,16-17,27-28H,2-5,10,12-13H2,1H3,(H,25,26,29)/t17-/m1/s1
InChIKeyXXVAQWMVAJWWNC-QGZVFWFLSA-N
MW482.00 g/mol
LogP2.90
Rot. Bonds9

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

(2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[3-(1,3-dihydroxypropan-2-yl)pyrazin-2-yl]propanamide (PubChem CID 69361210) has the molecular formula C22H28ClN3O5S and a molecular weight of 482.00 g/mol. Its IUPAC name is (2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[3-(1,3-dihydroxypropan-2-yl)pyrazin-2-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[3-(1,3-dihydroxypropan-2-yl)pyrazin-2-yl]propanamide
PubChem CID69361210
Molecular FormulaC22H28ClN3O5S
Molecular Weight482.00 g/mol
Exact Mass481.14
IUPAC Name(2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[3-(1,3-dihydroxypropan-2-yl)pyrazin-2-yl]propanamide
SMILESCS(=O)(=O)c1ccc([C@@H](CC2CCCC2)C(=O)Nc2nccnc2C(CO)CO)cc1Cl
InChIInChI=1S/C22H28ClN3O5S/c1-32(30,31)19-7-6-15(11-18(19)23)17(10-14-4-2-3-5-14)22(29)26-21-20(16(12-27)13-28)24-8-9-25-21/h6-9,11,14,16-17,27-28H,2-5,10,12-13H2,1H3,(H,25,26,29)/t17-/m1/s1
InChIKeyXXVAQWMVAJWWNC-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

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Related Compounds

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2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-pyrimidin-4-ylpropanamide
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CID 10051679
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(2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-(1-ethylpyrazol-3-yl)propanamide
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2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-quinolin-2-ylpropanamide
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[3-(1,3-dihydroxypropan-2-yl)pyrazin-2-yl]propanamide?
The IUPAC name of (2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[3-(1,3-dihydroxypropan-2-yl)pyrazin-2-yl]propanamide (CID 69361210) is (2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[3-(1,3-dihydroxypropan-2-yl)pyrazin-2-yl]propanamide.
What is the SMILES notation for (2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[3-(1,3-dihydroxypropan-2-yl)pyrazin-2-yl]propanamide?
The canonical SMILES for (2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[3-(1,3-dihydroxypropan-2-yl)pyrazin-2-yl]propanamide is CS(=O)(=O)c1ccc([C@@H](CC2CCCC2)C(=O)Nc2nccnc2C(CO)CO)cc1Cl.
What is the InChIKey of (2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[3-(1,3-dihydroxypropan-2-yl)pyrazin-2-yl]propanamide?
The InChIKey is XXVAQWMVAJWWNC-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H28ClN3O5S/c1-32(30,31)19-7-6-15(11-18(19)23)17(10-14-4-2-3-5-14)22(29)26-21-20(16(12-27)13-28)24-8-9-25-21/h6-9,11,14,16-17,27-28H,2-5,10,12-13H2,1H3,(H,25,26,29)/t17-/m1/s1.
What are the key properties of (2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[3-(1,3-dihydroxypropan-2-yl)pyrazin-2-yl]propanamide?
(2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[3-(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 (2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[3-(1,3-dihydroxypropan-2-yl)pyrazin-2-yl]propanamide is sourced from PubChem (CID 69361210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).