2-[(3-cyano-2-pyridinyl)sulfanyl]-N-(2,4-difluorophenyl)acetamide

C14H9F2N3OS — CID 53364696

IUPAC2-[(3-cyano-2-pyridinyl)sulfanyl]-N-(2,4-difluorophenyl)acetamide
SMILESN#Cc1cccnc1SCC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C14H9F2N3OS/c15-10-3-4-12(11(16)6-10)19-13(20)8-21-14-9(7-17)2-1-5-18-14/h1-6H,8H2,(H,19,20)
InChIKeyXYJHGYCFLGMDPG-UHFFFAOYSA-N
MW305.31 g/mol
LogP2.96
Rot. Bonds4

About 2-[(3-cyano-2-pyridinyl)sulfanyl]-N-(2,4-difluorophenyl)acetamide

2-[(3-cyano-2-pyridinyl)sulfanyl]-N-(2,4-difluorophenyl)acetamide (PubChem CID 53364696) has the molecular formula C14H9F2N3OS and a molecular weight of 305.31 g/mol. Its IUPAC name is 2-[(3-cyano-2-pyridinyl)sulfanyl]-N-(2,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(3-cyano-2-pyridinyl)sulfanyl]-N-(2,4-difluorophenyl)acetamide
PubChem CID53364696
Molecular FormulaC14H9F2N3OS
Molecular Weight305.31 g/mol
Exact Mass305.04
IUPAC Name2-[(3-cyano-2-pyridinyl)sulfanyl]-N-(2,4-difluorophenyl)acetamide
SMILESN#Cc1cccnc1SCC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C14H9F2N3OS/c15-10-3-4-12(11(16)6-10)19-13(20)8-21-14-9(7-17)2-1-5-18-14/h1-6H,8H2,(H,19,20)
InChIKeyXYJHGYCFLGMDPG-UHFFFAOYSA-N
XLogP2.96
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(3-cyano-2-pyridinyl)sulfanyl]acetamide
CID 17186377
2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-N-(2,4-difluorophenyl)acetamide
CID 3685784
2-[(3-cyano-2-pyridinyl)sulfanyl]-N-(3,4-dichlorophenyl)acetamide
CID 17186421
N-(2-cyanophenyl)-2-(2,4-difluoroanilino)acetamide
CID 109011065
2-[(3-cyano-2-pyridinyl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 26368475
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-N'-(2,4-difluorophenyl)oxamide
CID 121107759
N-(4-chloro-2-fluorophenyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 743539
2-[4-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanylbutylsulfanyl]-N-(2,4-difluorophenyl)acetamide
CID 4215969
2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanylacetic acid
CID 2732308
2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
CID 1174565
2-(2-amino-5-fluorophenyl)sulfanyl-N-(2-cyanophenyl)acetamide
CID 79127543
N-(2,4-difluorophenyl)-2-quinazolin-2-ylsulfanylacetamide
CID 5142642

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-2-pyridinyl)sulfanyl]-N-(2,4-difluorophenyl)acetamide?
The IUPAC name of 2-[(3-cyano-2-pyridinyl)sulfanyl]-N-(2,4-difluorophenyl)acetamide (CID 53364696) is 2-[(3-cyano-2-pyridinyl)sulfanyl]-N-(2,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-[(3-cyano-2-pyridinyl)sulfanyl]-N-(2,4-difluorophenyl)acetamide?
The canonical SMILES for 2-[(3-cyano-2-pyridinyl)sulfanyl]-N-(2,4-difluorophenyl)acetamide is N#Cc1cccnc1SCC(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 2-[(3-cyano-2-pyridinyl)sulfanyl]-N-(2,4-difluorophenyl)acetamide?
The InChIKey is XYJHGYCFLGMDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2N3OS/c15-10-3-4-12(11(16)6-10)19-13(20)8-21-14-9(7-17)2-1-5-18-14/h1-6H,8H2,(H,19,20).
What are the key properties of 2-[(3-cyano-2-pyridinyl)sulfanyl]-N-(2,4-difluorophenyl)acetamide?
2-[(3-cyano-2-pyridinyl)sulfanyl]-N-(2,4-difluorophenyl)acetamide has a molecular weight of 305.31 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-2-pyridinyl)sulfanyl]-N-(2,4-difluorophenyl)acetamide is sourced from PubChem (CID 53364696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).