2-(3,4-difluorophenyl)sulfanyl-N-(5-methyl-2-pyridinyl)acetamide

C14H12F2N2OS — CID 47126211

IUPAC2-(3,4-difluorophenyl)sulfanyl-N-(5-methyl-2-pyridinyl)acetamide
SMILESCc1ccc(NC(=O)CSc2ccc(F)c(F)c2)nc1
InChIInChI=1S/C14H12F2N2OS/c1-9-2-5-13(17-7-9)18-14(19)8-20-10-3-4-11(15)12(16)6-10/h2-7H,8H2,1H3,(H,17,18,19)
InChIKeyWECQUOFKEDPBEP-UHFFFAOYSA-N
MW294.33 g/mol
LogP3.40
Rot. Bonds4

About 2-(3,4-difluorophenyl)sulfanyl-N-(5-methyl-2-pyridinyl)acetamide

2-(3,4-difluorophenyl)sulfanyl-N-(5-methyl-2-pyridinyl)acetamide (PubChem CID 47126211) has the molecular formula C14H12F2N2OS and a molecular weight of 294.33 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)sulfanyl-N-(5-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)sulfanyl-N-(5-methyl-2-pyridinyl)acetamide
PubChem CID47126211
Molecular FormulaC14H12F2N2OS
Molecular Weight294.33 g/mol
Exact Mass294.06
IUPAC Name2-(3,4-difluorophenyl)sulfanyl-N-(5-methyl-2-pyridinyl)acetamide
SMILESCc1ccc(NC(=O)CSc2ccc(F)c(F)c2)nc1
InChIInChI=1S/C14H12F2N2OS/c1-9-2-5-13(17-7-9)18-14(19)8-20-10-3-4-11(15)12(16)6-10/h2-7H,8H2,1H3,(H,17,18,19)
InChIKeyWECQUOFKEDPBEP-UHFFFAOYSA-N
XLogP3.40
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-difluorophenyl)sulfanyl-N-methylacetamide
CID 60665693
N-(5-chloro-2-pyridinyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 2121854
2-(3,4-difluorophenyl)sulfanyl-N-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 51098094
methyl 2-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]-1,3-thiazole-5-carboxylate
CID 18103762
N-(4-bromo-2-methylphenyl)-2-(3,4-difluorophenyl)sulfanylacetamide
CID 9055699
2-(3,4-difluorophenyl)sulfanyl-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 7737232
N-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]-4-methylbenzamide
CID 19298990
N-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)sulfanylacetamide
CID 1325893
2-benzhydrylsulfanyl-N-(5-methyl-2-pyridinyl)acetamide
CID 46651551
N-(3-amino-4-fluorophenyl)-2-(3,4-difluorophenyl)sulfanylacetamide
CID 43345163
N-(3,4-difluorophenyl)-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]acetamide
CID 27772603
N-(2-acetamidoethyl)-2-(3,4-difluorophenyl)sulfanylacetamide
CID 78811528

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-N-(5-methyl-2-pyridinyl)acetamide?
The IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-N-(5-methyl-2-pyridinyl)acetamide (CID 47126211) is 2-(3,4-difluorophenyl)sulfanyl-N-(5-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)sulfanyl-N-(5-methyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-(3,4-difluorophenyl)sulfanyl-N-(5-methyl-2-pyridinyl)acetamide is Cc1ccc(NC(=O)CSc2ccc(F)c(F)c2)nc1.
What is the InChIKey of 2-(3,4-difluorophenyl)sulfanyl-N-(5-methyl-2-pyridinyl)acetamide?
The InChIKey is WECQUOFKEDPBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2OS/c1-9-2-5-13(17-7-9)18-14(19)8-20-10-3-4-11(15)12(16)6-10/h2-7H,8H2,1H3,(H,17,18,19).
What are the key properties of 2-(3,4-difluorophenyl)sulfanyl-N-(5-methyl-2-pyridinyl)acetamide?
2-(3,4-difluorophenyl)sulfanyl-N-(5-methyl-2-pyridinyl)acetamide has a molecular weight of 294.33 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)sulfanyl-N-(5-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 47126211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).