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

C23H24ClN3O4S — CID 67482682

IUPAC2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[5-(furan-3-yl)pyrazin-2-yl]propanamide
SMILESCS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)Nc2cnc(-c3ccoc3)cn2)cc1Cl
InChIInChI=1S/C23H24ClN3O4S/c1-32(29,30)21-7-6-16(11-19(21)24)18(10-15-4-2-3-5-15)23(28)27-22-13-25-20(12-26-22)17-8-9-31-14-17/h6-9,11-15,18H,2-5,10H2,1H3,(H,26,27,28)
InChIKeyGJKVAFLVPCJHNN-UHFFFAOYSA-N
MW473.98 g/mol
LogP5.10
Rot. Bonds7

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

2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[5-(furan-3-yl)pyrazin-2-yl]propanamide (PubChem CID 67482682) has the molecular formula C23H24ClN3O4S and a molecular weight of 473.98 g/mol. Its IUPAC name is 2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[5-(furan-3-yl)pyrazin-2-yl]propanamide.

Molecular Properties

Compound Name2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[5-(furan-3-yl)pyrazin-2-yl]propanamide
PubChem CID67482682
Molecular FormulaC23H24ClN3O4S
Molecular Weight473.98 g/mol
Exact Mass473.12
IUPAC Name2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[5-(furan-3-yl)pyrazin-2-yl]propanamide
SMILESCS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)Nc2cnc(-c3ccoc3)cn2)cc1Cl
InChIInChI=1S/C23H24ClN3O4S/c1-32(29,30)21-7-6-16(11-19(21)24)18(10-15-4-2-3-5-15)23(28)27-22-13-25-20(12-26-22)17-8-9-31-14-17/h6-9,11-15,18H,2-5,10H2,1H3,(H,26,27,28)
InChIKeyGJKVAFLVPCJHNN-UHFFFAOYSA-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 2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[5-(furan-3-yl)pyrazin-2-yl]propanamide?
The IUPAC name of 2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[5-(furan-3-yl)pyrazin-2-yl]propanamide (CID 67482682) is 2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[5-(furan-3-yl)pyrazin-2-yl]propanamide.
What is the SMILES notation for 2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[5-(furan-3-yl)pyrazin-2-yl]propanamide?
The canonical SMILES for 2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[5-(furan-3-yl)pyrazin-2-yl]propanamide is CS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)Nc2cnc(-c3ccoc3)cn2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[5-(furan-3-yl)pyrazin-2-yl]propanamide?
The InChIKey is GJKVAFLVPCJHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O4S/c1-32(29,30)21-7-6-16(11-19(21)24)18(10-15-4-2-3-5-15)23(28)27-22-13-25-20(12-26-22)17-8-9-31-14-17/h6-9,11-15,18H,2-5,10H2,1H3,(H,26,27,28).
What are the key properties of 2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[5-(furan-3-yl)pyrazin-2-yl]propanamide?
2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[5-(furan-3-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 2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[5-(furan-3-yl)pyrazin-2-yl]propanamide is sourced from PubChem (CID 67482682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).