N-(4-methylphenyl)-2-[(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide

C16H19N3O2S — CID 135491368

IUPACN-(4-methylphenyl)-2-[(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCc1ccc(NC(=O)CSc2nc(C(C)C)cc(=O)[nH]2)cc1
InChIInChI=1S/C16H19N3O2S/c1-10(2)13-8-14(20)19-16(18-13)22-9-15(21)17-12-6-4-11(3)5-7-12/h4-8,10H,9H2,1-3H3,(H,17,21)(H,18,19,20)
InChIKeyNABRFTXXFPSTLF-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.93
Rot. Bonds5

About N-(4-methylphenyl)-2-[(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide

N-(4-methylphenyl)-2-[(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 135491368) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-[(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-[(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID135491368
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-(4-methylphenyl)-2-[(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCc1ccc(NC(=O)CSc2nc(C(C)C)cc(=O)[nH]2)cc1
InChIInChI=1S/C16H19N3O2S/c1-10(2)13-8-14(20)19-16(18-13)22-9-15(21)17-12-6-4-11(3)5-7-12/h4-8,10H,9H2,1-3H3,(H,17,21)(H,18,19,20)
InChIKeyNABRFTXXFPSTLF-UHFFFAOYSA-N
XLogP2.93
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]-N-phenylacetamide
CID 136684700
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide
CID 135412196
N-(4-methylphenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135408881
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[4-(2-methylpropyl)phenyl]acetamide
CID 135461502
2-[(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]-N-(2,3,4-trifluorophenyl)acetamide
CID 136684677
N-(2,4-dichlorophenyl)-2-[(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 136684701
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 136684850
butyl 3-[[2-[(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate
CID 136684737
N-(4-acetamidophenyl)-2-[[6-oxo-4-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-2-yl]sulfanyl]acetamide
CID 136686428
N-(2,1,3-benzothiadiazol-4-yl)-2-[(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 146025369
N-(4-ethylphenyl)-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 19644003
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide
CID 135399372

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-[(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-methylphenyl)-2-[(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide (CID 135491368) is N-(4-methylphenyl)-2-[(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-[(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-methylphenyl)-2-[(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide is Cc1ccc(NC(=O)CSc2nc(C(C)C)cc(=O)[nH]2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-[(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is NABRFTXXFPSTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-10(2)13-8-14(20)19-16(18-13)22-9-15(21)17-12-6-4-11(3)5-7-12/h4-8,10H,9H2,1-3H3,(H,17,21)(H,18,19,20).
What are the key properties of N-(4-methylphenyl)-2-[(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
N-(4-methylphenyl)-2-[(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 317.41 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-[(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 135491368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).