N-methyl-2-[(6-oxo-9-phenyl-1H-purin-8-yl)sulfanyl]-N-phenylacetamide

C20H17N5O2S — CID 135969774

IUPACN-methyl-2-[(6-oxo-9-phenyl-1H-purin-8-yl)sulfanyl]-N-phenylacetamide
SMILESCN(C(=O)CSc1nc2c(=O)[nH]cnc2n1-c1ccccc1)c1ccccc1
InChIInChI=1S/C20H17N5O2S/c1-24(14-8-4-2-5-9-14)16(26)12-28-20-23-17-18(21-13-22-19(17)27)25(20)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3,(H,21,22,27)
InChIKeyWUYGRJFZAJGZSV-UHFFFAOYSA-N
MW391.46 g/mol
LogP2.86
Rot. Bonds5

About N-methyl-2-[(6-oxo-9-phenyl-1H-purin-8-yl)sulfanyl]-N-phenylacetamide

N-methyl-2-[(6-oxo-9-phenyl-1H-purin-8-yl)sulfanyl]-N-phenylacetamide (PubChem CID 135969774) has the molecular formula C20H17N5O2S and a molecular weight of 391.46 g/mol. Its IUPAC name is N-methyl-2-[(6-oxo-9-phenyl-1H-purin-8-yl)sulfanyl]-N-phenylacetamide.

Molecular Properties

Compound NameN-methyl-2-[(6-oxo-9-phenyl-1H-purin-8-yl)sulfanyl]-N-phenylacetamide
PubChem CID135969774
Molecular FormulaC20H17N5O2S
Molecular Weight391.46 g/mol
Exact Mass391.11
IUPAC NameN-methyl-2-[(6-oxo-9-phenyl-1H-purin-8-yl)sulfanyl]-N-phenylacetamide
SMILESCN(C(=O)CSc1nc2c(=O)[nH]cnc2n1-c1ccccc1)c1ccccc1
InChIInChI=1S/C20H17N5O2S/c1-24(14-8-4-2-5-9-14)16(26)12-28-20-23-17-18(21-13-22-19(17)27)25(20)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3,(H,21,22,27)
InChIKeyWUYGRJFZAJGZSV-UHFFFAOYSA-N
XLogP2.86
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.46
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-methyl-2-[(6-oxo-9-phenyl-1H-purin-8-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

N-(3-chloro-2-methylphenyl)-2-[(6-oxo-9-phenyl-1H-purin-8-yl)sulfanyl]acetamide
CID 135645448
8-[(3-methylphenyl)methylsulfanyl]-9-phenyl-1H-purin-6-one
CID 135969771
9-phenyl-8-(pyridin-3-ylmethylsulfanyl)-1H-purin-6-one
CID 135969782
N-(5-chloro-2-methoxyphenyl)-2-[(6-oxo-9-phenyl-1H-purin-8-yl)sulfanyl]acetamide
CID 135645471
methyl 2-[[2-[[9-(4-methylphenyl)-6-oxo-1H-purin-8-yl]sulfanyl]acetyl]amino]benzoate
CID 135648014
N-(4-ethoxyphenyl)-2-[[9-(4-methylphenyl)-6-oxo-1H-purin-8-yl]sulfanyl]acetamide
CID 135648034
2-[[3-(2-fluorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-methyl-N-phenylacetamide
CID 16816502
9-(4-methylphenyl)-8-[(3-methylphenyl)methylsulfanyl]-1H-purin-6-one
CID 135647975
2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-phenylacetamide
CID 2086175
2-[3-(4-butan-2-ylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-phenylacetamide
CID 5213988
2-[3-[4-(difluoromethylsulfanyl)phenyl]-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-phenylacetamide
CID 2365303
2-[[5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-phenylacetamide
CID 28697025

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(6-oxo-9-phenyl-1H-purin-8-yl)sulfanyl]-N-phenylacetamide?
The IUPAC name of N-methyl-2-[(6-oxo-9-phenyl-1H-purin-8-yl)sulfanyl]-N-phenylacetamide (CID 135969774) is N-methyl-2-[(6-oxo-9-phenyl-1H-purin-8-yl)sulfanyl]-N-phenylacetamide.
What is the SMILES notation for N-methyl-2-[(6-oxo-9-phenyl-1H-purin-8-yl)sulfanyl]-N-phenylacetamide?
The canonical SMILES for N-methyl-2-[(6-oxo-9-phenyl-1H-purin-8-yl)sulfanyl]-N-phenylacetamide is CN(C(=O)CSc1nc2c(=O)[nH]cnc2n1-c1ccccc1)c1ccccc1.
What is the InChIKey of N-methyl-2-[(6-oxo-9-phenyl-1H-purin-8-yl)sulfanyl]-N-phenylacetamide?
The InChIKey is WUYGRJFZAJGZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2S/c1-24(14-8-4-2-5-9-14)16(26)12-28-20-23-17-18(21-13-22-19(17)27)25(20)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3,(H,21,22,27).
What are the key properties of N-methyl-2-[(6-oxo-9-phenyl-1H-purin-8-yl)sulfanyl]-N-phenylacetamide?
N-methyl-2-[(6-oxo-9-phenyl-1H-purin-8-yl)sulfanyl]-N-phenylacetamide has a molecular weight of 391.46 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(6-oxo-9-phenyl-1H-purin-8-yl)sulfanyl]-N-phenylacetamide is sourced from PubChem (CID 135969774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).