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

C18H15ClFN3OS — CID 175215309

IUPACN-(3-chloro-4-fluorophenyl)-3-[(3-cyano-6-cyclopropyl-2-pyridinyl)sulfanyl]propanamide
SMILESN#Cc1ccc(C2CC2)nc1SCCC(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C18H15ClFN3OS/c19-14-9-13(4-5-15(14)20)22-17(24)7-8-25-18-12(10-21)3-6-16(23-18)11-1-2-11/h3-6,9,11H,1-2,7-8H2,(H,22,24)
InChIKeyKPNRHGJTCMHNRR-UHFFFAOYSA-N
MW375.86 g/mol
LogP4.74
Rot. Bonds6

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

N-(3-chloro-4-fluorophenyl)-3-[(3-cyano-6-cyclopropyl-2-pyridinyl)sulfanyl]propanamide (PubChem CID 175215309) has the molecular formula C18H15ClFN3OS and a molecular weight of 375.86 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-3-[(3-cyano-6-cyclopropyl-2-pyridinyl)sulfanyl]propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-3-[(3-cyano-6-cyclopropyl-2-pyridinyl)sulfanyl]propanamide
PubChem CID175215309
Molecular FormulaC18H15ClFN3OS
Molecular Weight375.86 g/mol
Exact Mass375.06
IUPAC NameN-(3-chloro-4-fluorophenyl)-3-[(3-cyano-6-cyclopropyl-2-pyridinyl)sulfanyl]propanamide
SMILESN#Cc1ccc(C2CC2)nc1SCCC(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C18H15ClFN3OS/c19-14-9-13(4-5-15(14)20)22-17(24)7-8-25-18-12(10-21)3-6-16(23-18)11-1-2-11/h3-6,9,11H,1-2,7-8H2,(H,22,24)
InChIKeyKPNRHGJTCMHNRR-UHFFFAOYSA-N
XLogP4.74
TPSA65.78 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 ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-(4-CL-PH)-2-((3-Cyano-6-(2-thienyl)-4-(tri-F-ME)-2-pyridinyl)thio)acetamide
CID 1115824
2-((3-Cyano-6-(4-F-PH)-4-(trifluoromethyl)-2-pyridinyl)thio)-N-phenylacetamide
CID 3854561
N-(3-chloro-4-fluorophenyl)-2-[[6-cyano-3-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 162654769
N-(5-chloro-2-methylphenyl)-2-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]acetamide
CID 5299641
N-(4-Chlorophenyl)-2-((3-cyano-4,6-diphenylpyridin-2-yl)thio)acetamide
CID 1744296
N-(3-chlorophenyl)-2-{[3-cyano-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetamide
CID 3594053
N-(3-chloro-4-fluorophenyl)-2-[(7-cyano-3,4-dihydro-2H-1,4-ethano-1,5-naphthyridin-6-yl)sulfanyl]acetamide
CID 5299545
2-[(3-cyano-4,6-dimethylpyridin-2-yl)thio]-N-(2-fluorophenyl)acetamide
CID 703299
2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-N-(2-fluorophenyl)acetamide
CID 1239705
2-(3-cyano-6-ethyl-5-methylpyridin-2-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2216879
2-[(5-chloro-3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 4245020
2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
CID 711695

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-3-[(3-cyano-6-cyclopropyl-2-pyridinyl)sulfanyl]propanamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-3-[(3-cyano-6-cyclopropyl-2-pyridinyl)sulfanyl]propanamide (CID 175215309) is N-(3-chloro-4-fluorophenyl)-3-[(3-cyano-6-cyclopropyl-2-pyridinyl)sulfanyl]propanamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-3-[(3-cyano-6-cyclopropyl-2-pyridinyl)sulfanyl]propanamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-3-[(3-cyano-6-cyclopropyl-2-pyridinyl)sulfanyl]propanamide is N#Cc1ccc(C2CC2)nc1SCCC(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-3-[(3-cyano-6-cyclopropyl-2-pyridinyl)sulfanyl]propanamide?
The InChIKey is KPNRHGJTCMHNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3OS/c19-14-9-13(4-5-15(14)20)22-17(24)7-8-25-18-12(10-21)3-6-16(23-18)11-1-2-11/h3-6,9,11H,1-2,7-8H2,(H,22,24).
What are the key properties of N-(3-chloro-4-fluorophenyl)-3-[(3-cyano-6-cyclopropyl-2-pyridinyl)sulfanyl]propanamide?
N-(3-chloro-4-fluorophenyl)-3-[(3-cyano-6-cyclopropyl-2-pyridinyl)sulfanyl]propanamide has a molecular weight of 375.86 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-3-[(3-cyano-6-cyclopropyl-2-pyridinyl)sulfanyl]propanamide is sourced from PubChem (CID 175215309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).