(2R)-N-(4,6-dimethylpyrimidin-2-yl)-2-phenyl-2-phenylsulfanylacetamide

C20H19N3OS — CID 40554986

IUPAC(2R)-N-(4,6-dimethylpyrimidin-2-yl)-2-phenyl-2-phenylsulfanylacetamide
SMILESCc1cc(C)nc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)n1
InChIInChI=1S/C20H19N3OS/c1-14-13-15(2)22-20(21-14)23-19(24)18(16-9-5-3-6-10-16)25-17-11-7-4-8-12-17/h3-13,18H,1-2H3,(H,21,22,23,24)/t18-/m1/s1
InChIKeyORQZRVIFAOJNAZ-GOSISDBHSA-N
MW349.46 g/mol
LogP4.57
Rot. Bonds5

About (2R)-N-(4,6-dimethylpyrimidin-2-yl)-2-phenyl-2-phenylsulfanylacetamide

(2R)-N-(4,6-dimethylpyrimidin-2-yl)-2-phenyl-2-phenylsulfanylacetamide (PubChem CID 40554986) has the molecular formula C20H19N3OS and a molecular weight of 349.46 g/mol. Its IUPAC name is (2R)-N-(4,6-dimethylpyrimidin-2-yl)-2-phenyl-2-phenylsulfanylacetamide.

Molecular Properties

Compound Name(2R)-N-(4,6-dimethylpyrimidin-2-yl)-2-phenyl-2-phenylsulfanylacetamide
PubChem CID40554986
Molecular FormulaC20H19N3OS
Molecular Weight349.46 g/mol
Exact Mass349.12
IUPAC Name(2R)-N-(4,6-dimethylpyrimidin-2-yl)-2-phenyl-2-phenylsulfanylacetamide
SMILESCc1cc(C)nc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)n1
InChIInChI=1S/C20H19N3OS/c1-14-13-15(2)22-20(21-14)23-19(24)18(16-9-5-3-6-10-16)25-17-11-7-4-8-12-17/h3-13,18H,1-2H3,(H,21,22,23,24)/t18-/m1/s1
InChIKeyORQZRVIFAOJNAZ-GOSISDBHSA-N
XLogP4.57
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-N-(4,6-dimethylpyrimidin-2-yl)-2-phenyl-2-phenylsulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-methylpyrimidin-2-yl)-2-phenyl-2-phenylsulfanylacetamide
CID 17381762
N'-(4,6-dimethylpyrimidin-2-yl)-2-phenyl-2-phenylsulfanylacetohydrazide
CID 42888617
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-phenyl-2-phenylsulfanylacetamide
CID 6412172
2-phenyl-2-phenylsulfanyl-N-pyrimidin-2-ylacetamide
CID 5196122
N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]-2-phenyl-2-phenylsulfanylacetamide
CID 23365771
N-(3-acetamidophenyl)-2-phenyl-2-phenylsulfanylacetamide
CID 2904304
(2S)-N,2-diphenyl-2-phenylsulfanylacetamide
CID 821034
N,2-diphenyl-2-phenylsulfanylacetamide
CID 2885898
2-methyl-N-[3-[(2-phenyl-2-phenylsulfanylacetyl)amino]phenyl]propanamide
CID 55609795
(2S)-2-phenyl-2-phenylsulfanyl-N-pyridin-2-ylacetamide
CID 40546464
N-(2-hydroxy-4-methylphenyl)-2-phenyl-2-phenylsulfanylacetamide
CID 16573615
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 132899242

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4,6-dimethylpyrimidin-2-yl)-2-phenyl-2-phenylsulfanylacetamide?
The IUPAC name of (2R)-N-(4,6-dimethylpyrimidin-2-yl)-2-phenyl-2-phenylsulfanylacetamide (CID 40554986) is (2R)-N-(4,6-dimethylpyrimidin-2-yl)-2-phenyl-2-phenylsulfanylacetamide.
What is the SMILES notation for (2R)-N-(4,6-dimethylpyrimidin-2-yl)-2-phenyl-2-phenylsulfanylacetamide?
The canonical SMILES for (2R)-N-(4,6-dimethylpyrimidin-2-yl)-2-phenyl-2-phenylsulfanylacetamide is Cc1cc(C)nc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)n1.
What is the InChIKey of (2R)-N-(4,6-dimethylpyrimidin-2-yl)-2-phenyl-2-phenylsulfanylacetamide?
The InChIKey is ORQZRVIFAOJNAZ-GOSISDBHSA-N. The full InChI is InChI=1S/C20H19N3OS/c1-14-13-15(2)22-20(21-14)23-19(24)18(16-9-5-3-6-10-16)25-17-11-7-4-8-12-17/h3-13,18H,1-2H3,(H,21,22,23,24)/t18-/m1/s1.
What are the key properties of (2R)-N-(4,6-dimethylpyrimidin-2-yl)-2-phenyl-2-phenylsulfanylacetamide?
(2R)-N-(4,6-dimethylpyrimidin-2-yl)-2-phenyl-2-phenylsulfanylacetamide has a molecular weight of 349.46 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4,6-dimethylpyrimidin-2-yl)-2-phenyl-2-phenylsulfanylacetamide is sourced from PubChem (CID 40554986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).