2-[(7-methyl-6-oxo-1H-purin-2-yl)sulfanyl]-N-phenylacetamide

C14H13N5O2S — CID 135541315

IUPAC2-[(7-methyl-6-oxo-1H-purin-2-yl)sulfanyl]-N-phenylacetamide
SMILESCn1cnc2nc(SCC(=O)Nc3ccccc3)[nH]c(=O)c21
InChIInChI=1S/C14H13N5O2S/c1-19-8-15-12-11(19)13(21)18-14(17-12)22-7-10(20)16-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,16,20)(H,17,18,21)
InChIKeyCUJIXDDGYZWGTO-UHFFFAOYSA-N
MW315.36 g/mol
LogP1.39
Rot. Bonds4

About 2-[(7-methyl-6-oxo-1H-purin-2-yl)sulfanyl]-N-phenylacetamide

2-[(7-methyl-6-oxo-1H-purin-2-yl)sulfanyl]-N-phenylacetamide (PubChem CID 135541315) has the molecular formula C14H13N5O2S and a molecular weight of 315.36 g/mol. Its IUPAC name is 2-[(7-methyl-6-oxo-1H-purin-2-yl)sulfanyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(7-methyl-6-oxo-1H-purin-2-yl)sulfanyl]-N-phenylacetamide
PubChem CID135541315
Molecular FormulaC14H13N5O2S
Molecular Weight315.36 g/mol
Exact Mass315.08
IUPAC Name2-[(7-methyl-6-oxo-1H-purin-2-yl)sulfanyl]-N-phenylacetamide
SMILESCn1cnc2nc(SCC(=O)Nc3ccccc3)[nH]c(=O)c21
InChIInChI=1S/C14H13N5O2S/c1-19-8-15-12-11(19)13(21)18-14(17-12)22-7-10(20)16-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,16,20)(H,17,18,21)
InChIKeyCUJIXDDGYZWGTO-UHFFFAOYSA-N
XLogP1.39
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(7-methyl-6-oxo-1H-purin-2-yl)sulfanyl]-N-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-phenylacetamide
CID 135441944
2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-phenylacetamide
CID 858758
N-[4-amino-2-(2-anilino-2-oxoethyl)sulfanyl-6-oxo-1H-pyrimidin-5-yl]benzamide
CID 135714738
N-(4-methylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
CID 135450400
2-[(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]-N-phenylacetamide
CID 136684700
N-(4-hydroxyphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
CID 176729757
2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-phenylacetamide
CID 1286376
N-(3-acetylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
CID 135538320
N-(4-acetylphenyl)-2-[(4-hydroxy-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 2229086
2-[[1-(2-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]-N-phenylacetamide
CID 136637771
2-(3-methyl-2,6-dioxopurin-7-yl)-N-phenylacetamide
CID 7304333
2-[[4-(ethylsulfanylmethyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-phenylacetamide
CID 136686496

Frequently Asked Questions

What is the IUPAC name of 2-[(7-methyl-6-oxo-1H-purin-2-yl)sulfanyl]-N-phenylacetamide?
The IUPAC name of 2-[(7-methyl-6-oxo-1H-purin-2-yl)sulfanyl]-N-phenylacetamide (CID 135541315) is 2-[(7-methyl-6-oxo-1H-purin-2-yl)sulfanyl]-N-phenylacetamide.
What is the SMILES notation for 2-[(7-methyl-6-oxo-1H-purin-2-yl)sulfanyl]-N-phenylacetamide?
The canonical SMILES for 2-[(7-methyl-6-oxo-1H-purin-2-yl)sulfanyl]-N-phenylacetamide is Cn1cnc2nc(SCC(=O)Nc3ccccc3)[nH]c(=O)c21.
What is the InChIKey of 2-[(7-methyl-6-oxo-1H-purin-2-yl)sulfanyl]-N-phenylacetamide?
The InChIKey is CUJIXDDGYZWGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2S/c1-19-8-15-12-11(19)13(21)18-14(17-12)22-7-10(20)16-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,16,20)(H,17,18,21).
What are the key properties of 2-[(7-methyl-6-oxo-1H-purin-2-yl)sulfanyl]-N-phenylacetamide?
2-[(7-methyl-6-oxo-1H-purin-2-yl)sulfanyl]-N-phenylacetamide has a molecular weight of 315.36 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-methyl-6-oxo-1H-purin-2-yl)sulfanyl]-N-phenylacetamide is sourced from PubChem (CID 135541315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).