3-cyclopentyl-2-(4-methylsulfanylphenyl)-N-pyrazin-2-ylpropanamide

C19H23N3OS — CID 23394568

IUPAC3-cyclopentyl-2-(4-methylsulfanylphenyl)-N-pyrazin-2-ylpropanamide
SMILESCSc1ccc(C(CC2CCCC2)C(=O)Nc2cnccn2)cc1
InChIInChI=1S/C19H23N3OS/c1-24-16-8-6-15(7-9-16)17(12-14-4-2-3-5-14)19(23)22-18-13-20-10-11-21-18/h6-11,13-14,17H,2-5,12H2,1H3,(H,21,22,23)
InChIKeyHUMRDFMMAXTMHA-UHFFFAOYSA-N
MW341.48 g/mol
LogP4.50
Rot. Bonds6

About 3-cyclopentyl-2-(4-methylsulfanylphenyl)-N-pyrazin-2-ylpropanamide

3-cyclopentyl-2-(4-methylsulfanylphenyl)-N-pyrazin-2-ylpropanamide (PubChem CID 23394568) has the molecular formula C19H23N3OS and a molecular weight of 341.48 g/mol. Its IUPAC name is 3-cyclopentyl-2-(4-methylsulfanylphenyl)-N-pyrazin-2-ylpropanamide.

Molecular Properties

Compound Name3-cyclopentyl-2-(4-methylsulfanylphenyl)-N-pyrazin-2-ylpropanamide
PubChem CID23394568
Molecular FormulaC19H23N3OS
Molecular Weight341.48 g/mol
Exact Mass341.16
IUPAC Name3-cyclopentyl-2-(4-methylsulfanylphenyl)-N-pyrazin-2-ylpropanamide
SMILESCSc1ccc(C(CC2CCCC2)C(=O)Nc2cnccn2)cc1
InChIInChI=1S/C19H23N3OS/c1-24-16-8-6-15(7-9-16)17(12-14-4-2-3-5-14)19(23)22-18-13-20-10-11-21-18/h6-11,13-14,17H,2-5,12H2,1H3,(H,21,22,23)
InChIKeyHUMRDFMMAXTMHA-UHFFFAOYSA-N
XLogP4.50
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-(4-methylsulfanylphenyl)-N-pyrazin-2-ylpropanamide?
The IUPAC name of 3-cyclopentyl-2-(4-methylsulfanylphenyl)-N-pyrazin-2-ylpropanamide (CID 23394568) is 3-cyclopentyl-2-(4-methylsulfanylphenyl)-N-pyrazin-2-ylpropanamide.
What is the SMILES notation for 3-cyclopentyl-2-(4-methylsulfanylphenyl)-N-pyrazin-2-ylpropanamide?
The canonical SMILES for 3-cyclopentyl-2-(4-methylsulfanylphenyl)-N-pyrazin-2-ylpropanamide is CSc1ccc(C(CC2CCCC2)C(=O)Nc2cnccn2)cc1.
What is the InChIKey of 3-cyclopentyl-2-(4-methylsulfanylphenyl)-N-pyrazin-2-ylpropanamide?
The InChIKey is HUMRDFMMAXTMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3OS/c1-24-16-8-6-15(7-9-16)17(12-14-4-2-3-5-14)19(23)22-18-13-20-10-11-21-18/h6-11,13-14,17H,2-5,12H2,1H3,(H,21,22,23).
What are the key properties of 3-cyclopentyl-2-(4-methylsulfanylphenyl)-N-pyrazin-2-ylpropanamide?
3-cyclopentyl-2-(4-methylsulfanylphenyl)-N-pyrazin-2-ylpropanamide has a molecular weight of 341.48 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-(4-methylsulfanylphenyl)-N-pyrazin-2-ylpropanamide is sourced from PubChem (CID 23394568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).