2-(2-methyl-6-oxo-4-phenylpyrimidin-1-yl)-N-(4-methylphenyl)sulfonylacetamide

C20H19N3O4S — CID 7747925

IUPAC2-(2-methyl-6-oxo-4-phenylpyrimidin-1-yl)-N-(4-methylphenyl)sulfonylacetamide
SMILESCc1ccc(S(=O)(=O)NC(=O)Cn2c(C)nc(-c3ccccc3)cc2=O)cc1
InChIInChI=1S/C20H19N3O4S/c1-14-8-10-17(11-9-14)28(26,27)22-19(24)13-23-15(2)21-18(12-20(23)25)16-6-4-3-5-7-16/h3-12H,13H2,1-2H3,(H,22,24)
InChIKeyOKASPIRHEWMPBP-UHFFFAOYSA-N
MW397.46 g/mol
LogP2.03
Rot. Bonds5

About 2-(2-methyl-6-oxo-4-phenylpyrimidin-1-yl)-N-(4-methylphenyl)sulfonylacetamide

2-(2-methyl-6-oxo-4-phenylpyrimidin-1-yl)-N-(4-methylphenyl)sulfonylacetamide (PubChem CID 7747925) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is 2-(2-methyl-6-oxo-4-phenylpyrimidin-1-yl)-N-(4-methylphenyl)sulfonylacetamide.

Molecular Properties

Compound Name2-(2-methyl-6-oxo-4-phenylpyrimidin-1-yl)-N-(4-methylphenyl)sulfonylacetamide
PubChem CID7747925
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC Name2-(2-methyl-6-oxo-4-phenylpyrimidin-1-yl)-N-(4-methylphenyl)sulfonylacetamide
SMILESCc1ccc(S(=O)(=O)NC(=O)Cn2c(C)nc(-c3ccccc3)cc2=O)cc1
InChIInChI=1S/C20H19N3O4S/c1-14-8-10-17(11-9-14)28(26,27)22-19(24)13-23-15(2)21-18(12-20(23)25)16-6-4-3-5-7-16/h3-12H,13H2,1-2H3,(H,22,24)
InChIKeyOKASPIRHEWMPBP-UHFFFAOYSA-N
XLogP2.03
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methyl-6-oxo-4-phenylpyrimidin-1-yl)-N-naphthalen-1-ylacetamide
CID 7747904
N-(benzenesulfonyl)-N'-(4-methylphenyl)sulfonylpropanediamide
CID 135051885
N-(furan-2-ylmethyl)-2-(2-methyl-6-oxo-4-phenylpyrimidin-1-yl)acetamide
CID 7747939
N-(3-chloro-4-methoxyphenyl)-2-(2-methyl-6-oxo-4-phenylpyrimidin-1-yl)acetamide
CID 7747874
2-[2-[(4-methylphenyl)sulfonylamino]-2-oxoethyl]sulfanyl-N-phenylacetamide
CID 7747387
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-methyl-6-oxo-4-phenylpyrimidin-1-yl)acetamide
CID 7747944
N-(3,5-dimethylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-phenylpyrimidin-1-yl]acetamide
CID 27476189
3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methyl-6-phenylpyrimidin-4-one
CID 7747963
3-[(2,6-dichlorophenyl)methyl]-2-methyl-6-phenylpyrimidin-4-one
CID 7747856
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methylphenyl)sulfonylacetamide
CID 1299526
N-(benzenesulfonyl)-N'-methyl-N'-(4-methylphenyl)sulfonylpropanediamide
CID 135052084
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-methylphenyl)sulfonylacetamide
CID 135964006

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-6-oxo-4-phenylpyrimidin-1-yl)-N-(4-methylphenyl)sulfonylacetamide?
The IUPAC name of 2-(2-methyl-6-oxo-4-phenylpyrimidin-1-yl)-N-(4-methylphenyl)sulfonylacetamide (CID 7747925) is 2-(2-methyl-6-oxo-4-phenylpyrimidin-1-yl)-N-(4-methylphenyl)sulfonylacetamide.
What is the SMILES notation for 2-(2-methyl-6-oxo-4-phenylpyrimidin-1-yl)-N-(4-methylphenyl)sulfonylacetamide?
The canonical SMILES for 2-(2-methyl-6-oxo-4-phenylpyrimidin-1-yl)-N-(4-methylphenyl)sulfonylacetamide is Cc1ccc(S(=O)(=O)NC(=O)Cn2c(C)nc(-c3ccccc3)cc2=O)cc1.
What is the InChIKey of 2-(2-methyl-6-oxo-4-phenylpyrimidin-1-yl)-N-(4-methylphenyl)sulfonylacetamide?
The InChIKey is OKASPIRHEWMPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-14-8-10-17(11-9-14)28(26,27)22-19(24)13-23-15(2)21-18(12-20(23)25)16-6-4-3-5-7-16/h3-12H,13H2,1-2H3,(H,22,24).
What are the key properties of 2-(2-methyl-6-oxo-4-phenylpyrimidin-1-yl)-N-(4-methylphenyl)sulfonylacetamide?
2-(2-methyl-6-oxo-4-phenylpyrimidin-1-yl)-N-(4-methylphenyl)sulfonylacetamide has a molecular weight of 397.46 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-6-oxo-4-phenylpyrimidin-1-yl)-N-(4-methylphenyl)sulfonylacetamide is sourced from PubChem (CID 7747925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).