(2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-(2-oxocyclopentyl)-N-pyrazin-2-ylpropanamide

C19H20ClN3O4S — CID 10093668

IUPAC(2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-(2-oxocyclopentyl)-N-pyrazin-2-ylpropanamide
SMILESCS(=O)(=O)c1ccc([C@@H](CC2CCCC2=O)C(=O)Nc2cnccn2)cc1Cl
InChIInChI=1S/C19H20ClN3O4S/c1-28(26,27)17-6-5-12(10-15(17)20)14(9-13-3-2-4-16(13)24)19(25)23-18-11-21-7-8-22-18/h5-8,10-11,13-14H,2-4,9H2,1H3,(H,22,23,25)/t13?,14-/m1/s1
InChIKeyKVABINFFCIRQHU-ARLHGKGLSA-N
MW421.91 g/mol
LogP3.02
Rot. Bonds6

About (2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-(2-oxocyclopentyl)-N-pyrazin-2-ylpropanamide

(2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-(2-oxocyclopentyl)-N-pyrazin-2-ylpropanamide (PubChem CID 10093668) has the molecular formula C19H20ClN3O4S and a molecular weight of 421.91 g/mol. Its IUPAC name is (2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-(2-oxocyclopentyl)-N-pyrazin-2-ylpropanamide.

Molecular Properties

Compound Name(2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-(2-oxocyclopentyl)-N-pyrazin-2-ylpropanamide
PubChem CID10093668
Molecular FormulaC19H20ClN3O4S
Molecular Weight421.91 g/mol
Exact Mass421.09
IUPAC Name(2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-(2-oxocyclopentyl)-N-pyrazin-2-ylpropanamide
SMILESCS(=O)(=O)c1ccc([C@@H](CC2CCCC2=O)C(=O)Nc2cnccn2)cc1Cl
InChIInChI=1S/C19H20ClN3O4S/c1-28(26,27)17-6-5-12(10-15(17)20)14(9-13-3-2-4-16(13)24)19(25)23-18-11-21-7-8-22-18/h5-8,10-11,13-14H,2-4,9H2,1H3,(H,22,23,25)/t13?,14-/m1/s1
InChIKeyKVABINFFCIRQHU-ARLHGKGLSA-N
XLogP3.02
TPSA106.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.91
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-(2-oxocyclopentyl)-N-pyrazin-2-ylpropanamide?
The IUPAC name of (2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-(2-oxocyclopentyl)-N-pyrazin-2-ylpropanamide (CID 10093668) is (2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-(2-oxocyclopentyl)-N-pyrazin-2-ylpropanamide.
What is the SMILES notation for (2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-(2-oxocyclopentyl)-N-pyrazin-2-ylpropanamide?
The canonical SMILES for (2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-(2-oxocyclopentyl)-N-pyrazin-2-ylpropanamide is CS(=O)(=O)c1ccc([C@@H](CC2CCCC2=O)C(=O)Nc2cnccn2)cc1Cl.
What is the InChIKey of (2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-(2-oxocyclopentyl)-N-pyrazin-2-ylpropanamide?
The InChIKey is KVABINFFCIRQHU-ARLHGKGLSA-N. The full InChI is InChI=1S/C19H20ClN3O4S/c1-28(26,27)17-6-5-12(10-15(17)20)14(9-13-3-2-4-16(13)24)19(25)23-18-11-21-7-8-22-18/h5-8,10-11,13-14H,2-4,9H2,1H3,(H,22,23,25)/t13?,14-/m1/s1.
What are the key properties of (2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-(2-oxocyclopentyl)-N-pyrazin-2-ylpropanamide?
(2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-(2-oxocyclopentyl)-N-pyrazin-2-ylpropanamide has a molecular weight of 421.91 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-(2-oxocyclopentyl)-N-pyrazin-2-ylpropanamide is sourced from PubChem (CID 10093668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).