2-phenyl-2-phenylsulfanyl-N-pyrimidin-2-ylacetamide

C18H15N3OS — CID 5196122

IUPAC2-phenyl-2-phenylsulfanyl-N-pyrimidin-2-ylacetamide
SMILESO=C(Nc1ncccn1)C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C18H15N3OS/c22-17(21-18-19-12-7-13-20-18)16(14-8-3-1-4-9-14)23-15-10-5-2-6-11-15/h1-13,16H,(H,19,20,21,22)
InChIKeyOGMTYYMYIJQLGK-UHFFFAOYSA-N
MW321.41 g/mol
LogP3.95
Rot. Bonds5

About 2-phenyl-2-phenylsulfanyl-N-pyrimidin-2-ylacetamide

2-phenyl-2-phenylsulfanyl-N-pyrimidin-2-ylacetamide (PubChem CID 5196122) has the molecular formula C18H15N3OS and a molecular weight of 321.41 g/mol. Its IUPAC name is 2-phenyl-2-phenylsulfanyl-N-pyrimidin-2-ylacetamide.

Molecular Properties

Compound Name2-phenyl-2-phenylsulfanyl-N-pyrimidin-2-ylacetamide
PubChem CID5196122
Molecular FormulaC18H15N3OS
Molecular Weight321.41 g/mol
Exact Mass321.09
IUPAC Name2-phenyl-2-phenylsulfanyl-N-pyrimidin-2-ylacetamide
SMILESO=C(Nc1ncccn1)C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C18H15N3OS/c22-17(21-18-19-12-7-13-20-18)16(14-8-3-1-4-9-14)23-15-10-5-2-6-11-15/h1-13,16H,(H,19,20,21,22)
InChIKeyOGMTYYMYIJQLGK-UHFFFAOYSA-N
XLogP3.95
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(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
(2S)-N,2-diphenyl-2-phenylsulfanylacetamide
CID 821034
N,2-diphenyl-2-phenylsulfanylacetamide
CID 2885898
(2R)-2-phenyl-2-phenylsulfanyl-N-(1-pyridin-2-yl-1,2,4-triazol-3-yl)acetamide
CID 97255085
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-phenyl-2-phenylsulfanylacetamide
CID 6412172
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
2-methyl-N-[4-[(2-phenyl-2-phenylsulfanylacetyl)amino]phenyl]propanamide
CID 43000405
N-(2-chlorophenyl)-2-phenyl-2-phenylsulfanylacetamide
CID 2904145

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-phenylsulfanyl-N-pyrimidin-2-ylacetamide?
The IUPAC name of 2-phenyl-2-phenylsulfanyl-N-pyrimidin-2-ylacetamide (CID 5196122) is 2-phenyl-2-phenylsulfanyl-N-pyrimidin-2-ylacetamide.
What is the SMILES notation for 2-phenyl-2-phenylsulfanyl-N-pyrimidin-2-ylacetamide?
The canonical SMILES for 2-phenyl-2-phenylsulfanyl-N-pyrimidin-2-ylacetamide is O=C(Nc1ncccn1)C(Sc1ccccc1)c1ccccc1.
What is the InChIKey of 2-phenyl-2-phenylsulfanyl-N-pyrimidin-2-ylacetamide?
The InChIKey is OGMTYYMYIJQLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3OS/c22-17(21-18-19-12-7-13-20-18)16(14-8-3-1-4-9-14)23-15-10-5-2-6-11-15/h1-13,16H,(H,19,20,21,22).
What are the key properties of 2-phenyl-2-phenylsulfanyl-N-pyrimidin-2-ylacetamide?
2-phenyl-2-phenylsulfanyl-N-pyrimidin-2-ylacetamide has a molecular weight of 321.41 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-phenylsulfanyl-N-pyrimidin-2-ylacetamide is sourced from PubChem (CID 5196122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).