N-(4-acetylphenyl)-2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide

C20H18N4O3S — CID 2228977

IUPACN-(4-acetylphenyl)-2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide
SMILESCC(=O)c1ccc(NC(=O)CSc2nc(=O)cc(N)n2-c2ccccc2)cc1
InChIInChI=1S/C20H18N4O3S/c1-13(25)14-7-9-15(10-8-14)22-19(27)12-28-20-23-18(26)11-17(21)24(20)16-5-3-2-4-6-16/h2-11H,12,21H2,1H3,(H,22,27)
InChIKeyHCUFOCNNMFDBHA-UHFFFAOYSA-N
MW394.46 g/mol
LogP2.75
Rot. Bonds6

About N-(4-acetylphenyl)-2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide

N-(4-acetylphenyl)-2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 2228977) has the molecular formula C20H18N4O3S and a molecular weight of 394.46 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide
PubChem CID2228977
Molecular FormulaC20H18N4O3S
Molecular Weight394.46 g/mol
Exact Mass394.11
IUPAC NameN-(4-acetylphenyl)-2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide
SMILESCC(=O)c1ccc(NC(=O)CSc2nc(=O)cc(N)n2-c2ccccc2)cc1
InChIInChI=1S/C20H18N4O3S/c1-13(25)14-7-9-15(10-8-14)22-19(27)12-28-20-23-18(26)11-17(21)24(20)16-5-3-2-4-6-16/h2-11H,12,21H2,1H3,(H,22,27)
InChIKeyHCUFOCNNMFDBHA-UHFFFAOYSA-N
XLogP2.75
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-(4-acetylphenyl)-2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide (CID 2228977) is N-(4-acetylphenyl)-2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide is CC(=O)c1ccc(NC(=O)CSc2nc(=O)cc(N)n2-c2ccccc2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is HCUFOCNNMFDBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3S/c1-13(25)14-7-9-15(10-8-14)22-19(27)12-28-20-23-18(26)11-17(21)24(20)16-5-3-2-4-6-16/h2-11H,12,21H2,1H3,(H,22,27).
What are the key properties of N-(4-acetylphenyl)-2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide?
N-(4-acetylphenyl)-2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 394.46 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 2228977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).