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

C18H18ClN3OS — CID 23775152

IUPACN-(3-chlorophenyl)-3-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]propanamide
SMILESCCCc1ccc(C#N)c(SCCC(=O)Nc2cccc(Cl)c2)n1
InChIInChI=1S/C18H18ClN3OS/c1-2-4-15-8-7-13(12-20)18(22-15)24-10-9-17(23)21-16-6-3-5-14(19)11-16/h3,5-8,11H,2,4,9-10H2,1H3,(H,21,23)
InChIKeyZHQSEKIWXPXPJR-UHFFFAOYSA-N
MW359.88 g/mol
LogP4.68
Rot. Bonds7

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

N-(3-chlorophenyl)-3-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]propanamide (PubChem CID 23775152) has the molecular formula C18H18ClN3OS and a molecular weight of 359.88 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]propanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]propanamide
PubChem CID23775152
Molecular FormulaC18H18ClN3OS
Molecular Weight359.88 g/mol
Exact Mass359.09
IUPAC NameN-(3-chlorophenyl)-3-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]propanamide
SMILESCCCc1ccc(C#N)c(SCCC(=O)Nc2cccc(Cl)c2)n1
InChIInChI=1S/C18H18ClN3OS/c1-2-4-15-8-7-13(12-20)18(22-15)24-10-9-17(23)21-16-6-3-5-14(19)11-16/h3,5-8,11H,2,4,9-10H2,1H3,(H,21,23)
InChIKeyZHQSEKIWXPXPJR-UHFFFAOYSA-N
XLogP4.68
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.88
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(3,5-dichlorophenyl)propanamide
CID 23973238
3-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 23889387
3-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]-N-(2,3-dichlorophenyl)propanamide
CID 23973232
N-(3-chlorophenyl)-3-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanamide
CID 23833021
3-[3-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]sulfanyl]propanoylamino]benzoic acid
CID 21233167
3-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide
CID 23973412
3-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]-N-(2,3-dimethylphenyl)propanamide
CID 23746022
3-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 25049065
3-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]-N-(4-methyl-2-pyridinyl)propanamide
CID 23804349
N-(4-acetamidophenyl)-3-[[6-(4-chlorophenyl)-3-cyano-2-pyridinyl]sulfanyl]propanamide
CID 23804302
3-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]-N-(5-methyl-2-pyridinyl)propanamide
CID 23746137
3-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 23917412

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]propanamide?
The IUPAC name of N-(3-chlorophenyl)-3-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]propanamide (CID 23775152) is N-(3-chlorophenyl)-3-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]propanamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]propanamide?
The canonical SMILES for N-(3-chlorophenyl)-3-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]propanamide is CCCc1ccc(C#N)c(SCCC(=O)Nc2cccc(Cl)c2)n1.
What is the InChIKey of N-(3-chlorophenyl)-3-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]propanamide?
The InChIKey is ZHQSEKIWXPXPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3OS/c1-2-4-15-8-7-13(12-20)18(22-15)24-10-9-17(23)21-16-6-3-5-14(19)11-16/h3,5-8,11H,2,4,9-10H2,1H3,(H,21,23).
What are the key properties of N-(3-chlorophenyl)-3-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]propanamide?
N-(3-chlorophenyl)-3-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]propanamide has a molecular weight of 359.88 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]propanamide is sourced from PubChem (CID 23775152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).