2-[(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2,3-dimethylphenyl)acetamide

C22H23N3O2S — CID 135413895

IUPAC2-[(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)CSc2nc(C)c(Cc3ccccc3)c(=O)[nH]2)c1C
InChIInChI=1S/C22H23N3O2S/c1-14-8-7-11-19(15(14)2)24-20(26)13-28-22-23-16(3)18(21(27)25-22)12-17-9-5-4-6-10-17/h4-11H,12-13H2,1-3H3,(H,24,26)(H,23,25,27)
InChIKeyZUGDCLNZORPSNN-UHFFFAOYSA-N
MW393.51 g/mol
LogP4.02
Rot. Bonds6

About 2-[(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2,3-dimethylphenyl)acetamide

2-[(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2,3-dimethylphenyl)acetamide (PubChem CID 135413895) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is 2-[(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2,3-dimethylphenyl)acetamide
PubChem CID135413895
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC Name2-[(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)CSc2nc(C)c(Cc3ccccc3)c(=O)[nH]2)c1C
InChIInChI=1S/C22H23N3O2S/c1-14-8-7-11-19(15(14)2)24-20(26)13-28-22-23-16(3)18(21(27)25-22)12-17-9-5-4-6-10-17/h4-11H,12-13H2,1-3H3,(H,24,26)(H,23,25,27)
InChIKeyZUGDCLNZORPSNN-UHFFFAOYSA-N
XLogP4.02
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2,3-dimethylphenyl)acetamide with MolForge

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Related Compounds

N-(2,3-dihydro-1H-inden-5-yl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
CID 2557019
4(3H)-Quinazolinone, 2-(ethylthio)-3-phenyl-
CID 63761
2-(4-Oxo-3-phenyl-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetamide
CID 680931
2-[(3-methyl-4-oxo-2-quinazolinyl)thio]-N-phenylacetamide
CID 855776
2-(4-Hydroxy-pyrimidin-2-ylsulfanyl)-N-naphthalen-1-yl-acetamide
CID 860083
2-(4-Methoxy-6-oxo-1,6-dihydro-pyrimidin-2-ylsulfanyl)-N-naphthalen-1-yl-propionamide
CID 6501406
2-(4-Methoxy-6-oxo-1,6-dihydro-pyrimidin-2-ylsulfanyl)-N-naphthalen-2-yl-propionamide
CID 6501425
2-(6-Methyl-5-oxo-4,5-dihydro-[1,2,4]triazin-3-ylsulfanyl)-N-naphthalen-1-yl-butyramide
CID 135403906
2-[(5-benzyl-4-hydroxy-6-methylpyrimidin-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide
CID 135419136
2-[(4-hydroxy-6-propylpyrimidin-2-yl)sulfanyl]-N-(naphthalen-1-yl)acetamide
CID 135479063
N-(4-bromo-2,3-dimethylphenyl)-2-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]acetamide
CID 135513990
2-[(3,4-dimethylphenyl)amino]-4H-3,1-benzothiazin-4-one
CID 747378

Frequently Asked Questions

What is the IUPAC name of 2-[(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of 2-[(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2,3-dimethylphenyl)acetamide (CID 135413895) is 2-[(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for 2-[(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2,3-dimethylphenyl)acetamide is Cc1cccc(NC(=O)CSc2nc(C)c(Cc3ccccc3)c(=O)[nH]2)c1C.
What is the InChIKey of 2-[(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is ZUGDCLNZORPSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S/c1-14-8-7-11-19(15(14)2)24-20(26)13-28-22-23-16(3)18(21(27)25-22)12-17-9-5-4-6-10-17/h4-11H,12-13H2,1-3H3,(H,24,26)(H,23,25,27).
What are the key properties of 2-[(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2,3-dimethylphenyl)acetamide?
2-[(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 393.51 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 135413895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).