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

C23H24ClN3O4S — CID 10073589

IUPAC(2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[5-(furan-2-yl)pyrazin-2-yl]propanamide
SMILESCS(=O)(=O)c1ccc([C@@H](CC2CCCC2)C(=O)Nc2cnc(-c3ccco3)cn2)cc1Cl
InChIInChI=1S/C23H24ClN3O4S/c1-32(29,30)21-9-8-16(12-18(21)24)17(11-15-5-2-3-6-15)23(28)27-22-14-25-19(13-26-22)20-7-4-10-31-20/h4,7-10,12-15,17H,2-3,5-6,11H2,1H3,(H,26,27,28)/t17-/m1/s1
InChIKeyBMVVPZTYFXDVBE-QGZVFWFLSA-N
MW473.98 g/mol
LogP5.10
Rot. Bonds7

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

(2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[5-(furan-2-yl)pyrazin-2-yl]propanamide (PubChem CID 10073589) has the molecular formula C23H24ClN3O4S and a molecular weight of 473.98 g/mol. Its IUPAC name is (2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[5-(furan-2-yl)pyrazin-2-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[5-(furan-2-yl)pyrazin-2-yl]propanamide
PubChem CID10073589
Molecular FormulaC23H24ClN3O4S
Molecular Weight473.98 g/mol
Exact Mass473.12
IUPAC Name(2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[5-(furan-2-yl)pyrazin-2-yl]propanamide
SMILESCS(=O)(=O)c1ccc([C@@H](CC2CCCC2)C(=O)Nc2cnc(-c3ccco3)cn2)cc1Cl
InChIInChI=1S/C23H24ClN3O4S/c1-32(29,30)21-9-8-16(12-18(21)24)17(11-15-5-2-3-6-15)23(28)27-22-14-25-19(13-26-22)20-7-4-10-31-20/h4,7-10,12-15,17H,2-3,5-6,11H2,1H3,(H,26,27,28)/t17-/m1/s1
InChIKeyBMVVPZTYFXDVBE-QGZVFWFLSA-N
XLogP5.10
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.98
LogP ≤ 55.10
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-cyclopentyl-N-[5-(furan-2-yl)pyrazin-2-yl]propanamide?
The IUPAC name of (2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[5-(furan-2-yl)pyrazin-2-yl]propanamide (CID 10073589) is (2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[5-(furan-2-yl)pyrazin-2-yl]propanamide.
What is the SMILES notation for (2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[5-(furan-2-yl)pyrazin-2-yl]propanamide?
The canonical SMILES for (2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[5-(furan-2-yl)pyrazin-2-yl]propanamide is CS(=O)(=O)c1ccc([C@@H](CC2CCCC2)C(=O)Nc2cnc(-c3ccco3)cn2)cc1Cl.
What is the InChIKey of (2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[5-(furan-2-yl)pyrazin-2-yl]propanamide?
The InChIKey is BMVVPZTYFXDVBE-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H24ClN3O4S/c1-32(29,30)21-9-8-16(12-18(21)24)17(11-15-5-2-3-6-15)23(28)27-22-14-25-19(13-26-22)20-7-4-10-31-20/h4,7-10,12-15,17H,2-3,5-6,11H2,1H3,(H,26,27,28)/t17-/m1/s1.
What are the key properties of (2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[5-(furan-2-yl)pyrazin-2-yl]propanamide?
(2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[5-(furan-2-yl)pyrazin-2-yl]propanamide has a molecular weight of 473.98 g/mol, XLogP of 5.10, 7 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-cyclopentyl-N-[5-(furan-2-yl)pyrazin-2-yl]propanamide is sourced from PubChem (CID 10073589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).