N,N-diphenyl-2-(2H-triazol-4-ylsulfanyl)acetamide

C16H14N4OS — CID 15944372

IUPACN,N-diphenyl-2-(2H-triazol-4-ylsulfanyl)acetamide
SMILESO=C(CSc1cn[nH]n1)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H14N4OS/c21-16(12-22-15-11-17-19-18-15)20(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-11H,12H2,(H,17,18,19)
InChIKeyXHIGFZUJDTUWER-UHFFFAOYSA-N
MW310.38 g/mol
LogP3.26
Rot. Bonds5

About N,N-diphenyl-2-(2H-triazol-4-ylsulfanyl)acetamide

N,N-diphenyl-2-(2H-triazol-4-ylsulfanyl)acetamide (PubChem CID 15944372) has the molecular formula C16H14N4OS and a molecular weight of 310.38 g/mol. Its IUPAC name is N,N-diphenyl-2-(2H-triazol-4-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN,N-diphenyl-2-(2H-triazol-4-ylsulfanyl)acetamide
PubChem CID15944372
Molecular FormulaC16H14N4OS
Molecular Weight310.38 g/mol
Exact Mass310.09
IUPAC NameN,N-diphenyl-2-(2H-triazol-4-ylsulfanyl)acetamide
SMILESO=C(CSc1cn[nH]n1)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H14N4OS/c21-16(12-22-15-11-17-19-18-15)20(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-11H,12H2,(H,17,18,19)
InChIKeyXHIGFZUJDTUWER-UHFFFAOYSA-N
XLogP3.26
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]-N,N-diphenylacetamide
CID 136686130
N,N-diphenyl-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 51362394
2-(4-tert-butylphenyl)sulfanyl-N,N-diphenylacetamide
CID 5145476
2-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diphenylacetamide
CID 17137312
2-(3-aminophenyl)sulfanyl-N,N-diphenylacetamide
CID 18894747
2-(4,6-diaminopyrimidine-1,3-diium-2-yl)sulfanyl-N,N-diphenylacetamide
CID 4757133
2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diphenylacetamide
CID 39919821
2-[[3-(4-fluorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]-N,N-diphenylacetamide
CID 3177730
2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diphenylacetamide
CID 1206532
1-S,2-S-bis(2H-triazol-4-yl) ethanebis(thioate)
CID 54223050
4-phenylsulfanyl-2H-triazole;silver
CID 87874372
N-methyl-N-phenyl-2H-triazole-4-carboxamide
CID 78968210

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-2-(2H-triazol-4-ylsulfanyl)acetamide?
The IUPAC name of N,N-diphenyl-2-(2H-triazol-4-ylsulfanyl)acetamide (CID 15944372) is N,N-diphenyl-2-(2H-triazol-4-ylsulfanyl)acetamide.
What is the SMILES notation for N,N-diphenyl-2-(2H-triazol-4-ylsulfanyl)acetamide?
The canonical SMILES for N,N-diphenyl-2-(2H-triazol-4-ylsulfanyl)acetamide is O=C(CSc1cn[nH]n1)N(c1ccccc1)c1ccccc1.
What is the InChIKey of N,N-diphenyl-2-(2H-triazol-4-ylsulfanyl)acetamide?
The InChIKey is XHIGFZUJDTUWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4OS/c21-16(12-22-15-11-17-19-18-15)20(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-11H,12H2,(H,17,18,19).
What are the key properties of N,N-diphenyl-2-(2H-triazol-4-ylsulfanyl)acetamide?
N,N-diphenyl-2-(2H-triazol-4-ylsulfanyl)acetamide has a molecular weight of 310.38 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-2-(2H-triazol-4-ylsulfanyl)acetamide is sourced from PubChem (CID 15944372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).