2-(3,4-difluorophenyl)sulfanyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide

C17H14F2N4OS — CID 49423914

IUPAC2-(3,4-difluorophenyl)sulfanyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
SMILESCc1nc(-c2ccc(NC(=O)CSc3ccc(F)c(F)c3)cc2)n[nH]1
InChIInChI=1S/C17H14F2N4OS/c1-10-20-17(23-22-10)11-2-4-12(5-3-11)21-16(24)9-25-13-6-7-14(18)15(19)8-13/h2-8H,9H2,1H3,(H,21,24)(H,20,22,23)
InChIKeyICMIAQSHFJFMJQ-UHFFFAOYSA-N
MW360.39 g/mol
LogP3.79
Rot. Bonds5

About 2-(3,4-difluorophenyl)sulfanyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide

2-(3,4-difluorophenyl)sulfanyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide (PubChem CID 49423914) has the molecular formula C17H14F2N4OS and a molecular weight of 360.39 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)sulfanyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)sulfanyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
PubChem CID49423914
Molecular FormulaC17H14F2N4OS
Molecular Weight360.39 g/mol
Exact Mass360.09
IUPAC Name2-(3,4-difluorophenyl)sulfanyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
SMILESCc1nc(-c2ccc(NC(=O)CSc3ccc(F)c(F)c3)cc2)n[nH]1
InChIInChI=1S/C17H14F2N4OS/c1-10-20-17(23-22-10)11-2-4-12(5-3-11)21-16(24)9-25-13-6-7-14(18)15(19)8-13/h2-8H,9H2,1H3,(H,21,24)(H,20,22,23)
InChIKeyICMIAQSHFJFMJQ-UHFFFAOYSA-N
XLogP3.79
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3,4-difluorophenyl)sulfanyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide with MolForge

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Related Compounds

N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-naphthalen-2-ylsulfanylacetamide
CID 55825920
N-(4-fluorophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 967637
2-(3,4-difluorophenyl)sulfanyl-N-naphthalen-2-ylacetamide
CID 7736930
N-(3,4-difluorophenyl)-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 7818616
2-(4-acetamidophenyl)sulfanyl-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 26301328
2-(4-acetamidophenyl)sulfanyl-N-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]methyl]acetamide
CID 75391835
2-(4-ethylpiperazin-1-yl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 131930825
N-(3-amino-4-fluorophenyl)-2-(3,4-difluorophenyl)sulfanylacetamide
CID 43345163
N-(4-fluorophenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 2824699
4-fluoro-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 49422917
2-(3,4-difluorophenyl)sulfanyl-N-methylacetamide
CID 60665693
2-(3,4-difluorophenyl)sulfanyl-N-(5-methyl-2-pyridinyl)acetamide
CID 47126211

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide?
The IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide (CID 49423914) is 2-(3,4-difluorophenyl)sulfanyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)sulfanyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide?
The canonical SMILES for 2-(3,4-difluorophenyl)sulfanyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide is Cc1nc(-c2ccc(NC(=O)CSc3ccc(F)c(F)c3)cc2)n[nH]1.
What is the InChIKey of 2-(3,4-difluorophenyl)sulfanyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide?
The InChIKey is ICMIAQSHFJFMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4OS/c1-10-20-17(23-22-10)11-2-4-12(5-3-11)21-16(24)9-25-13-6-7-14(18)15(19)8-13/h2-8H,9H2,1H3,(H,21,24)(H,20,22,23).
What are the key properties of 2-(3,4-difluorophenyl)sulfanyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide?
2-(3,4-difluorophenyl)sulfanyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide has a molecular weight of 360.39 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)sulfanyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide is sourced from PubChem (CID 49423914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).