2-(3-chloro-4-fluorophenyl)-3-[(3-cyano-6-cyclopropyl-2-pyridinyl)sulfanyl]propanamide

C18H15ClFN3OS — CID 175696730

IUPAC2-(3-chloro-4-fluorophenyl)-3-[(3-cyano-6-cyclopropyl-2-pyridinyl)sulfanyl]propanamide
SMILESN#Cc1ccc(C2CC2)nc1SCC(C(N)=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C18H15ClFN3OS/c19-14-7-11(3-5-15(14)20)13(17(22)24)9-25-18-12(8-21)4-6-16(23-18)10-1-2-10/h3-7,10,13H,1-2,9H2,(H2,22,24)
InChIKeyUSFNRPVUTXABRQ-UHFFFAOYSA-N
MW375.86 g/mol
LogP3.98
Rot. Bonds6

About 2-(3-chloro-4-fluorophenyl)-3-[(3-cyano-6-cyclopropyl-2-pyridinyl)sulfanyl]propanamide

2-(3-chloro-4-fluorophenyl)-3-[(3-cyano-6-cyclopropyl-2-pyridinyl)sulfanyl]propanamide (PubChem CID 175696730) has the molecular formula C18H15ClFN3OS and a molecular weight of 375.86 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-3-[(3-cyano-6-cyclopropyl-2-pyridinyl)sulfanyl]propanamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-3-[(3-cyano-6-cyclopropyl-2-pyridinyl)sulfanyl]propanamide
PubChem CID175696730
Molecular FormulaC18H15ClFN3OS
Molecular Weight375.86 g/mol
Exact Mass375.06
IUPAC Name2-(3-chloro-4-fluorophenyl)-3-[(3-cyano-6-cyclopropyl-2-pyridinyl)sulfanyl]propanamide
SMILESN#Cc1ccc(C2CC2)nc1SCC(C(N)=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C18H15ClFN3OS/c19-14-7-11(3-5-15(14)20)13(17(22)24)9-25-18-12(8-21)4-6-16(23-18)10-1-2-10/h3-7,10,13H,1-2,9H2,(H2,22,24)
InChIKeyUSFNRPVUTXABRQ-UHFFFAOYSA-N
XLogP3.98
TPSA79.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-chloro-4-fluorophenyl)-3-[(3-cyano-6-cyclopropyl-2-pyridinyl)sulfanyl]propanamide with MolForge

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Related Compounds

6-(4-Chlorophenyl)-2-{[2-(3-chlorophenyl)-2-oxoethyl]sulfanyl}nicotinonitrile
CID 4460950
6-[(1S,2S)-5'-chloro-2'-oxo-spiro[cyclopropane-2,3'-indoline]-1-yl]-2-methylsulfanyl-pyridine-3-carbonitrile
CID 15956389
N-(3-chloro-4-fluorophenyl)-2-[[6-cyano-3-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 162654769
2-(3-Cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl-2-phenylacetamide
CID 3273373
2-{[3-Cyano-6-phenyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetamide
CID 752160
2-[2-(3-Chloro-phenyl)-2-oxo-ethylsulfanyl]-6-phenyl-nicotinonitrile
CID 1105521
N1-(tert-butyl)-2-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]-2-phenylacetamide
CID 332928
2-[(5-chloro-3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 4245020
US10975056, Example 283
CID 132233196
US10975056, Example 351
CID 132233671
2-{[2-(4-Chlorophenyl)-2-oxoethyl]sulfanyl}-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 1039996
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2,6-difluorophenyl)-2-phenylacetamide
CID 2726076

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-3-[(3-cyano-6-cyclopropyl-2-pyridinyl)sulfanyl]propanamide?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-3-[(3-cyano-6-cyclopropyl-2-pyridinyl)sulfanyl]propanamide (CID 175696730) is 2-(3-chloro-4-fluorophenyl)-3-[(3-cyano-6-cyclopropyl-2-pyridinyl)sulfanyl]propanamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-3-[(3-cyano-6-cyclopropyl-2-pyridinyl)sulfanyl]propanamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-3-[(3-cyano-6-cyclopropyl-2-pyridinyl)sulfanyl]propanamide is N#Cc1ccc(C2CC2)nc1SCC(C(N)=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-3-[(3-cyano-6-cyclopropyl-2-pyridinyl)sulfanyl]propanamide?
The InChIKey is USFNRPVUTXABRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3OS/c19-14-7-11(3-5-15(14)20)13(17(22)24)9-25-18-12(8-21)4-6-16(23-18)10-1-2-10/h3-7,10,13H,1-2,9H2,(H2,22,24).
What are the key properties of 2-(3-chloro-4-fluorophenyl)-3-[(3-cyano-6-cyclopropyl-2-pyridinyl)sulfanyl]propanamide?
2-(3-chloro-4-fluorophenyl)-3-[(3-cyano-6-cyclopropyl-2-pyridinyl)sulfanyl]propanamide has a molecular weight of 375.86 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-3-[(3-cyano-6-cyclopropyl-2-pyridinyl)sulfanyl]propanamide is sourced from PubChem (CID 175696730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).