2-(3-chlorophenyl)-3-[(3-cyano-6-cyclopropyl-2-pyridinyl)sulfanyl]propanamide

C18H16ClN3OS — CID 175696744

IUPAC2-(3-chlorophenyl)-3-[(3-cyano-6-cyclopropyl-2-pyridinyl)sulfanyl]propanamide
SMILESN#Cc1ccc(C2CC2)nc1SCC(C(N)=O)c1cccc(Cl)c1
InChIInChI=1S/C18H16ClN3OS/c19-14-3-1-2-12(8-14)15(17(21)23)10-24-18-13(9-20)6-7-16(22-18)11-4-5-11/h1-3,6-8,11,15H,4-5,10H2,(H2,21,23)
InChIKeyATHFHYMTOAIWSI-UHFFFAOYSA-N
MW357.87 g/mol
LogP3.85
Rot. Bonds6

About 2-(3-chlorophenyl)-3-[(3-cyano-6-cyclopropyl-2-pyridinyl)sulfanyl]propanamide

2-(3-chlorophenyl)-3-[(3-cyano-6-cyclopropyl-2-pyridinyl)sulfanyl]propanamide (PubChem CID 175696744) has the molecular formula C18H16ClN3OS and a molecular weight of 357.87 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3-[(3-cyano-6-cyclopropyl-2-pyridinyl)sulfanyl]propanamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3-[(3-cyano-6-cyclopropyl-2-pyridinyl)sulfanyl]propanamide
PubChem CID175696744
Molecular FormulaC18H16ClN3OS
Molecular Weight357.87 g/mol
Exact Mass357.07
IUPAC Name2-(3-chlorophenyl)-3-[(3-cyano-6-cyclopropyl-2-pyridinyl)sulfanyl]propanamide
SMILESN#Cc1ccc(C2CC2)nc1SCC(C(N)=O)c1cccc(Cl)c1
InChIInChI=1S/C18H16ClN3OS/c19-14-3-1-2-12(8-14)15(17(21)23)10-24-18-13(9-20)6-7-16(22-18)11-4-5-11/h1-3,6-8,11,15H,4-5,10H2,(H2,21,23)
InChIKeyATHFHYMTOAIWSI-UHFFFAOYSA-N
XLogP3.85
TPSA79.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.87
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-3-[(3-cyano-6-cyclopropyl-2-pyridinyl)sulfanyl]propanamide?
The IUPAC name of 2-(3-chlorophenyl)-3-[(3-cyano-6-cyclopropyl-2-pyridinyl)sulfanyl]propanamide (CID 175696744) is 2-(3-chlorophenyl)-3-[(3-cyano-6-cyclopropyl-2-pyridinyl)sulfanyl]propanamide.
What is the SMILES notation for 2-(3-chlorophenyl)-3-[(3-cyano-6-cyclopropyl-2-pyridinyl)sulfanyl]propanamide?
The canonical SMILES for 2-(3-chlorophenyl)-3-[(3-cyano-6-cyclopropyl-2-pyridinyl)sulfanyl]propanamide is N#Cc1ccc(C2CC2)nc1SCC(C(N)=O)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-3-[(3-cyano-6-cyclopropyl-2-pyridinyl)sulfanyl]propanamide?
The InChIKey is ATHFHYMTOAIWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3OS/c19-14-3-1-2-12(8-14)15(17(21)23)10-24-18-13(9-20)6-7-16(22-18)11-4-5-11/h1-3,6-8,11,15H,4-5,10H2,(H2,21,23).
What are the key properties of 2-(3-chlorophenyl)-3-[(3-cyano-6-cyclopropyl-2-pyridinyl)sulfanyl]propanamide?
2-(3-chlorophenyl)-3-[(3-cyano-6-cyclopropyl-2-pyridinyl)sulfanyl]propanamide has a molecular weight of 357.87 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-3-[(3-cyano-6-cyclopropyl-2-pyridinyl)sulfanyl]propanamide is sourced from PubChem (CID 175696744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).