(2R)-2-phenyl-2-phenylsulfanyl-N-(1-pyridin-2-yl-1,2,4-triazol-3-yl)acetamide

C21H17N5OS — CID 97255085

IUPAC(2R)-2-phenyl-2-phenylsulfanyl-N-(1-pyridin-2-yl-1,2,4-triazol-3-yl)acetamide
SMILESO=C(Nc1ncn(-c2ccccn2)n1)[C@H](Sc1ccccc1)c1ccccc1
InChIInChI=1S/C21H17N5OS/c27-20(24-21-23-15-26(25-21)18-13-7-8-14-22-18)19(16-9-3-1-4-10-16)28-17-11-5-2-6-12-17/h1-15,19H,(H,24,25,27)/t19-/m1/s1
InChIKeyPORHPWZLWQXSSU-LJQANCHMSA-N
MW387.47 g/mol
LogP4.13
Rot. Bonds6

About (2R)-2-phenyl-2-phenylsulfanyl-N-(1-pyridin-2-yl-1,2,4-triazol-3-yl)acetamide

(2R)-2-phenyl-2-phenylsulfanyl-N-(1-pyridin-2-yl-1,2,4-triazol-3-yl)acetamide (PubChem CID 97255085) has the molecular formula C21H17N5OS and a molecular weight of 387.47 g/mol. Its IUPAC name is (2R)-2-phenyl-2-phenylsulfanyl-N-(1-pyridin-2-yl-1,2,4-triazol-3-yl)acetamide.

Molecular Properties

Compound Name(2R)-2-phenyl-2-phenylsulfanyl-N-(1-pyridin-2-yl-1,2,4-triazol-3-yl)acetamide
PubChem CID97255085
Molecular FormulaC21H17N5OS
Molecular Weight387.47 g/mol
Exact Mass387.12
IUPAC Name(2R)-2-phenyl-2-phenylsulfanyl-N-(1-pyridin-2-yl-1,2,4-triazol-3-yl)acetamide
SMILESO=C(Nc1ncn(-c2ccccn2)n1)[C@H](Sc1ccccc1)c1ccccc1
InChIInChI=1S/C21H17N5OS/c27-20(24-21-23-15-26(25-21)18-13-7-8-14-22-18)19(16-9-3-1-4-10-16)28-17-11-5-2-6-12-17/h1-15,19H,(H,24,25,27)/t19-/m1/s1
InChIKeyPORHPWZLWQXSSU-LJQANCHMSA-N
XLogP4.13
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-phenyl-2-phenylsulfanyl-N-pyrimidin-2-ylacetamide
CID 5196122
(2S)-2-phenyl-2-phenylsulfanyl-N-pyridin-2-ylacetamide
CID 40546464
N-(4-methylpyrimidin-2-yl)-2-phenyl-2-phenylsulfanylacetamide
CID 17381762
(2R)-N-(4,6-dimethylpyrimidin-2-yl)-2-phenyl-2-phenylsulfanylacetamide
CID 40554986
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-phenyl-2-phenylsulfanylacetamide
CID 6412172
(2S)-N,2-diphenyl-2-phenylsulfanylacetamide
CID 821034
N,2-diphenyl-2-phenylsulfanylacetamide
CID 2885898
N-(2-hydroxyphenyl)-2-phenyl-2-phenylsulfanylacetamide
CID 42918814
2-phenyl-2-phenylsulfanylacetic acid;bis(2-phenyl-2-phenylsulfanyl-N-(2H-tetrazol-5-yl)acetamide)
CID 160889142
(2S)-N-(2,3,4,5,6-pentafluorophenyl)-2-phenyl-2-phenylsulfanylacetamide
CID 2163801
N-(3-acetamidophenyl)-2-phenyl-2-phenylsulfanylacetamide
CID 2904304
N-(2-chlorophenyl)-2-phenyl-2-phenylsulfanylacetamide
CID 2904145

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-2-phenylsulfanyl-N-(1-pyridin-2-yl-1,2,4-triazol-3-yl)acetamide?
The IUPAC name of (2R)-2-phenyl-2-phenylsulfanyl-N-(1-pyridin-2-yl-1,2,4-triazol-3-yl)acetamide (CID 97255085) is (2R)-2-phenyl-2-phenylsulfanyl-N-(1-pyridin-2-yl-1,2,4-triazol-3-yl)acetamide.
What is the SMILES notation for (2R)-2-phenyl-2-phenylsulfanyl-N-(1-pyridin-2-yl-1,2,4-triazol-3-yl)acetamide?
The canonical SMILES for (2R)-2-phenyl-2-phenylsulfanyl-N-(1-pyridin-2-yl-1,2,4-triazol-3-yl)acetamide is O=C(Nc1ncn(-c2ccccn2)n1)[C@H](Sc1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-2-phenyl-2-phenylsulfanyl-N-(1-pyridin-2-yl-1,2,4-triazol-3-yl)acetamide?
The InChIKey is PORHPWZLWQXSSU-LJQANCHMSA-N. The full InChI is InChI=1S/C21H17N5OS/c27-20(24-21-23-15-26(25-21)18-13-7-8-14-22-18)19(16-9-3-1-4-10-16)28-17-11-5-2-6-12-17/h1-15,19H,(H,24,25,27)/t19-/m1/s1.
What are the key properties of (2R)-2-phenyl-2-phenylsulfanyl-N-(1-pyridin-2-yl-1,2,4-triazol-3-yl)acetamide?
(2R)-2-phenyl-2-phenylsulfanyl-N-(1-pyridin-2-yl-1,2,4-triazol-3-yl)acetamide has a molecular weight of 387.47 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-2-phenylsulfanyl-N-(1-pyridin-2-yl-1,2,4-triazol-3-yl)acetamide is sourced from PubChem (CID 97255085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).