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

C15H17N3O2S — CID 7183885

IUPACN-(2,5-dimethylphenyl)-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide
SMILESCc1ccc(C)c(NC(=O)CSc2cc(C)[nH]c(=O)n2)c1
InChIInChI=1S/C15H17N3O2S/c1-9-4-5-10(2)12(6-9)17-13(19)8-21-14-7-11(3)16-15(20)18-14/h4-7H,8H2,1-3H3,(H,17,19)(H,16,18,20)
InChIKeyFDPLXXGXADISJE-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.43
Rot. Bonds4

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

N-(2,5-dimethylphenyl)-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide (PubChem CID 7183885) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide
PubChem CID7183885
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC NameN-(2,5-dimethylphenyl)-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide
SMILESCc1ccc(C)c(NC(=O)CSc2cc(C)[nH]c(=O)n2)c1
InChIInChI=1S/C15H17N3O2S/c1-9-4-5-10(2)12(6-9)17-13(19)8-21-14-7-11(3)16-15(20)18-14/h4-7H,8H2,1-3H3,(H,17,19)(H,16,18,20)
InChIKeyFDPLXXGXADISJE-UHFFFAOYSA-N
XLogP2.43
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethylphenyl)-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide
CID 7183888
N-(5-chloro-2-methoxyphenyl)-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide
CID 7184001
N-(2,5-dimethylphenyl)-2-[[6-methyl-3-(4-methylphenyl)-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide
CID 51363982
N-(2,5-dimethylphenyl)-2-[[6-(4-methylphenyl)-5-oxo-4H-1,2,4-triazin-3-yl]sulfanyl]acetamide
CID 135877276
2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide
CID 135671579
2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide
CID 25406762
N-[4-amino-2-[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-5-yl]-4-methylbenzamide
CID 135705810
N-(2,5-dimethylphenyl)-2-[[6-oxo-4-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-2-yl]sulfanyl]acetamide
CID 136686259
2-(2-amino-4-methylphenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide
CID 43302578
N-(2,5-dimethylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 845504
N-(2,5-dimethylphenyl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetamide
CID 39922186
2-(4-acetylphenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide
CID 94780327

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide (CID 7183885) is N-(2,5-dimethylphenyl)-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide is Cc1ccc(C)c(NC(=O)CSc2cc(C)[nH]c(=O)n2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide?
The InChIKey is FDPLXXGXADISJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-9-4-5-10(2)12(6-9)17-13(19)8-21-14-7-11(3)16-15(20)18-14/h4-7H,8H2,1-3H3,(H,17,19)(H,16,18,20).
What are the key properties of N-(2,5-dimethylphenyl)-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide?
N-(2,5-dimethylphenyl)-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide has a molecular weight of 303.39 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide is sourced from PubChem (CID 7183885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).