(2R)-N-carbamoyl-2-phenyl-2-pyrimidin-2-ylsulfanylacetamide

C13H12N4O2S — CID 9108985

IUPAC(2R)-N-carbamoyl-2-phenyl-2-pyrimidin-2-ylsulfanylacetamide
SMILESNC(=O)NC(=O)[C@H](Sc1ncccn1)c1ccccc1
InChIInChI=1S/C13H12N4O2S/c14-12(19)17-11(18)10(9-5-2-1-3-6-9)20-13-15-7-4-8-16-13/h1-8,10H,(H3,14,17,18,19)/t10-/m1/s1
InChIKeyGMASJQARFXOKHP-SNVBAGLBSA-N
MW288.33 g/mol
LogP1.50
Rot. Bonds4

About (2R)-N-carbamoyl-2-phenyl-2-pyrimidin-2-ylsulfanylacetamide

(2R)-N-carbamoyl-2-phenyl-2-pyrimidin-2-ylsulfanylacetamide (PubChem CID 9108985) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is (2R)-N-carbamoyl-2-phenyl-2-pyrimidin-2-ylsulfanylacetamide.

Molecular Properties

Compound Name(2R)-N-carbamoyl-2-phenyl-2-pyrimidin-2-ylsulfanylacetamide
PubChem CID9108985
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC Name(2R)-N-carbamoyl-2-phenyl-2-pyrimidin-2-ylsulfanylacetamide
SMILESNC(=O)NC(=O)[C@H](Sc1ncccn1)c1ccccc1
InChIInChI=1S/C13H12N4O2S/c14-12(19)17-11(18)10(9-5-2-1-3-6-9)20-13-15-7-4-8-16-13/h1-8,10H,(H3,14,17,18,19)/t10-/m1/s1
InChIKeyGMASJQARFXOKHP-SNVBAGLBSA-N
XLogP1.50
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-2-pyrimidin-2-ylsulfanylacetamide
CID 18136130
(2S)-N-carbamoyl-2-pyrimidin-2-ylsulfanylpropanamide
CID 8024239
(2R)-N-carbamoyl-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-phenylacetamide
CID 9207001
2-phenyl-2-phenylsulfanyl-N-pyrimidin-2-ylacetamide
CID 5196122
(2R)-N-carbamoyl-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetamide
CID 41104114
2-[(3-amino-2-pyridinyl)sulfanyl]-2-phenylacetohydrazide
CID 63590815
(2S)-2-phenyl-2-phenylsulfanyl-N-pyridin-2-ylacetamide
CID 40546464
(2S)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N,2-diphenylacetamide
CID 40881785
[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] (2S)-2-phenyl-2-phenylsulfanylacetate
CID 7842858
(2R)-N-(2,6-diethylphenyl)-2-phenyl-2-pyridin-2-ylsulfanylacetamide
CID 7037129
(2R)-2-phenyl-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 95629343
N-(4-methylpyrimidin-2-yl)-2-phenyl-2-phenylsulfanylacetamide
CID 17381762

Frequently Asked Questions

What is the IUPAC name of (2R)-N-carbamoyl-2-phenyl-2-pyrimidin-2-ylsulfanylacetamide?
The IUPAC name of (2R)-N-carbamoyl-2-phenyl-2-pyrimidin-2-ylsulfanylacetamide (CID 9108985) is (2R)-N-carbamoyl-2-phenyl-2-pyrimidin-2-ylsulfanylacetamide.
What is the SMILES notation for (2R)-N-carbamoyl-2-phenyl-2-pyrimidin-2-ylsulfanylacetamide?
The canonical SMILES for (2R)-N-carbamoyl-2-phenyl-2-pyrimidin-2-ylsulfanylacetamide is NC(=O)NC(=O)[C@H](Sc1ncccn1)c1ccccc1.
What is the InChIKey of (2R)-N-carbamoyl-2-phenyl-2-pyrimidin-2-ylsulfanylacetamide?
The InChIKey is GMASJQARFXOKHP-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H12N4O2S/c14-12(19)17-11(18)10(9-5-2-1-3-6-9)20-13-15-7-4-8-16-13/h1-8,10H,(H3,14,17,18,19)/t10-/m1/s1.
What are the key properties of (2R)-N-carbamoyl-2-phenyl-2-pyrimidin-2-ylsulfanylacetamide?
(2R)-N-carbamoyl-2-phenyl-2-pyrimidin-2-ylsulfanylacetamide has a molecular weight of 288.33 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-carbamoyl-2-phenyl-2-pyrimidin-2-ylsulfanylacetamide is sourced from PubChem (CID 9108985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).