N-[4-(difluoromethoxy)phenyl]-2-[(5-methyl-2-pyridinyl)sulfanyl]acetamide

C15H14F2N2O2S — CID 134007817

IUPACN-[4-(difluoromethoxy)phenyl]-2-[(5-methyl-2-pyridinyl)sulfanyl]acetamide
SMILESCc1ccc(SCC(=O)Nc2ccc(OC(F)F)cc2)nc1
InChIInChI=1S/C15H14F2N2O2S/c1-10-2-7-14(18-8-10)22-9-13(20)19-11-3-5-12(6-4-11)21-15(16)17/h2-8,15H,9H2,1H3,(H,19,20)
InChIKeyYNKKGQFDYOBVNE-UHFFFAOYSA-N
MW324.35 g/mol
LogP3.72
Rot. Bonds6

About N-[4-(difluoromethoxy)phenyl]-2-[(5-methyl-2-pyridinyl)sulfanyl]acetamide

N-[4-(difluoromethoxy)phenyl]-2-[(5-methyl-2-pyridinyl)sulfanyl]acetamide (PubChem CID 134007817) has the molecular formula C15H14F2N2O2S and a molecular weight of 324.35 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-2-[(5-methyl-2-pyridinyl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-2-[(5-methyl-2-pyridinyl)sulfanyl]acetamide
PubChem CID134007817
Molecular FormulaC15H14F2N2O2S
Molecular Weight324.35 g/mol
Exact Mass324.07
IUPAC NameN-[4-(difluoromethoxy)phenyl]-2-[(5-methyl-2-pyridinyl)sulfanyl]acetamide
SMILESCc1ccc(SCC(=O)Nc2ccc(OC(F)F)cc2)nc1
InChIInChI=1S/C15H14F2N2O2S/c1-10-2-7-14(18-8-10)22-9-13(20)19-11-3-5-12(6-4-11)21-15(16)17/h2-8,15H,9H2,1H3,(H,19,20)
InChIKeyYNKKGQFDYOBVNE-UHFFFAOYSA-N
XLogP3.72
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.35
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(difluoromethoxy)phenyl]-N-(4-methylphenyl)acetamide
CID 33142215
N-[4-(difluoromethoxy)phenyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 2591517
N-[4-(difluoromethoxy)phenyl]-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 3939395
N-[4-(difluoromethoxy)phenyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 26800978
N-[4-(difluoromethoxy)phenyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 42294890
2-(2-aminophenyl)sulfanyl-N-[4-(difluoromethoxy)phenyl]acetamide
CID 8554081
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[(5-chloro-2-pyridinyl)sulfanyl]acetamide
CID 112815647
N-[4-(difluoromethoxy)phenyl]-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7562394
N-[4-(difluoromethoxy)phenyl]-2-[[6-[(4-methylphenyl)methyl]-5-oxo-4H-1,2,4-triazin-3-yl]sulfanyl]acetamide
CID 135760317
1-[4-(difluoromethoxy)phenyl]-3-[[2-(4-methylphenyl)sulfanylacetyl]amino]thiourea
CID 8682801
N-[4-(difluoromethoxy)phenyl]-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 7362656
2-[[5-[4-(difluoromethoxy)phenyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethoxyphenyl)acetamide
CID 19643149

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-[(5-methyl-2-pyridinyl)sulfanyl]acetamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-[(5-methyl-2-pyridinyl)sulfanyl]acetamide (CID 134007817) is N-[4-(difluoromethoxy)phenyl]-2-[(5-methyl-2-pyridinyl)sulfanyl]acetamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-2-[(5-methyl-2-pyridinyl)sulfanyl]acetamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-2-[(5-methyl-2-pyridinyl)sulfanyl]acetamide is Cc1ccc(SCC(=O)Nc2ccc(OC(F)F)cc2)nc1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-2-[(5-methyl-2-pyridinyl)sulfanyl]acetamide?
The InChIKey is YNKKGQFDYOBVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O2S/c1-10-2-7-14(18-8-10)22-9-13(20)19-11-3-5-12(6-4-11)21-15(16)17/h2-8,15H,9H2,1H3,(H,19,20).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-2-[(5-methyl-2-pyridinyl)sulfanyl]acetamide?
N-[4-(difluoromethoxy)phenyl]-2-[(5-methyl-2-pyridinyl)sulfanyl]acetamide has a molecular weight of 324.35 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-2-[(5-methyl-2-pyridinyl)sulfanyl]acetamide is sourced from PubChem (CID 134007817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).