N-(4-methylpyrimidin-2-yl)-2-phenyl-2-phenylsulfanylacetamide

C19H17N3OS — CID 17381762

IUPACN-(4-methylpyrimidin-2-yl)-2-phenyl-2-phenylsulfanylacetamide
SMILESCc1ccnc(NC(=O)C(Sc2ccccc2)c2ccccc2)n1
InChIInChI=1S/C19H17N3OS/c1-14-12-13-20-19(21-14)22-18(23)17(15-8-4-2-5-9-15)24-16-10-6-3-7-11-16/h2-13,17H,1H3,(H,20,21,22,23)
InChIKeyMXYQMKTWKBYNBG-UHFFFAOYSA-N
MW335.43 g/mol
LogP4.26
Rot. Bonds5

About N-(4-methylpyrimidin-2-yl)-2-phenyl-2-phenylsulfanylacetamide

N-(4-methylpyrimidin-2-yl)-2-phenyl-2-phenylsulfanylacetamide (PubChem CID 17381762) has the molecular formula C19H17N3OS and a molecular weight of 335.43 g/mol. Its IUPAC name is N-(4-methylpyrimidin-2-yl)-2-phenyl-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(4-methylpyrimidin-2-yl)-2-phenyl-2-phenylsulfanylacetamide
PubChem CID17381762
Molecular FormulaC19H17N3OS
Molecular Weight335.43 g/mol
Exact Mass335.11
IUPAC NameN-(4-methylpyrimidin-2-yl)-2-phenyl-2-phenylsulfanylacetamide
SMILESCc1ccnc(NC(=O)C(Sc2ccccc2)c2ccccc2)n1
InChIInChI=1S/C19H17N3OS/c1-14-12-13-20-19(21-14)22-18(23)17(15-8-4-2-5-9-15)24-16-10-6-3-7-11-16/h2-13,17H,1H3,(H,20,21,22,23)
InChIKeyMXYQMKTWKBYNBG-UHFFFAOYSA-N
XLogP4.26
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(4,6-dimethylpyrimidin-2-yl)-2-phenyl-2-phenylsulfanylacetamide
CID 40554986
2-phenyl-2-phenylsulfanyl-N-pyrimidin-2-ylacetamide
CID 5196122
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-phenyl-2-phenylsulfanylacetamide
CID 6412172
(2S)-2-phenyl-2-phenylsulfanyl-N-pyridin-2-ylacetamide
CID 40546464
N'-(4,6-dimethylpyrimidin-2-yl)-2-phenyl-2-phenylsulfanylacetohydrazide
CID 42888617
N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]-2-phenyl-2-phenylsulfanylacetamide
CID 23365771
(2S)-N,2-diphenyl-2-phenylsulfanylacetamide
CID 821034
N,2-diphenyl-2-phenylsulfanylacetamide
CID 2885898
2-methyl-N-[4-[(2-phenyl-2-phenylsulfanylacetyl)amino]phenyl]propanamide
CID 43000405
4,5-dimethyl-2-[(2-phenyl-2-phenylsulfanylacetyl)amino]thiophene-3-carboxamide
CID 2931398
(2R)-2-phenyl-2-phenylsulfanyl-N-(1-pyridin-2-yl-1,2,4-triazol-3-yl)acetamide
CID 97255085
4,5-dimethyl-2-[[(2S)-2-phenyl-2-phenylsulfanylacetyl]amino]thiophene-3-carboxamide
CID 1009226

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpyrimidin-2-yl)-2-phenyl-2-phenylsulfanylacetamide?
The IUPAC name of N-(4-methylpyrimidin-2-yl)-2-phenyl-2-phenylsulfanylacetamide (CID 17381762) is N-(4-methylpyrimidin-2-yl)-2-phenyl-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(4-methylpyrimidin-2-yl)-2-phenyl-2-phenylsulfanylacetamide?
The canonical SMILES for N-(4-methylpyrimidin-2-yl)-2-phenyl-2-phenylsulfanylacetamide is Cc1ccnc(NC(=O)C(Sc2ccccc2)c2ccccc2)n1.
What is the InChIKey of N-(4-methylpyrimidin-2-yl)-2-phenyl-2-phenylsulfanylacetamide?
The InChIKey is MXYQMKTWKBYNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3OS/c1-14-12-13-20-19(21-14)22-18(23)17(15-8-4-2-5-9-15)24-16-10-6-3-7-11-16/h2-13,17H,1H3,(H,20,21,22,23).
What are the key properties of N-(4-methylpyrimidin-2-yl)-2-phenyl-2-phenylsulfanylacetamide?
N-(4-methylpyrimidin-2-yl)-2-phenyl-2-phenylsulfanylacetamide has a molecular weight of 335.43 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpyrimidin-2-yl)-2-phenyl-2-phenylsulfanylacetamide is sourced from PubChem (CID 17381762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).