N-(3-methylphenyl)-2-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanylacetamide

C23H21N5O2S — CID 22518383

IUPACN-(3-methylphenyl)-2-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanylacetamide
SMILESCc1cccc(NC(=O)CSc2nc3nccnc3c(=O)n2CCc2ccccc2)c1
InChIInChI=1S/C23H21N5O2S/c1-16-6-5-9-18(14-16)26-19(29)15-31-23-27-21-20(24-11-12-25-21)22(30)28(23)13-10-17-7-3-2-4-8-17/h2-9,11-12,14H,10,13,15H2,1H3,(H,26,29)
InChIKeyPZTGUIKAZPUBHY-UHFFFAOYSA-N
MW431.52 g/mol
LogP3.47
Rot. Bonds7

About N-(3-methylphenyl)-2-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanylacetamide

N-(3-methylphenyl)-2-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanylacetamide (PubChem CID 22518383) has the molecular formula C23H21N5O2S and a molecular weight of 431.52 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanylacetamide
PubChem CID22518383
Molecular FormulaC23H21N5O2S
Molecular Weight431.52 g/mol
Exact Mass431.14
IUPAC NameN-(3-methylphenyl)-2-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanylacetamide
SMILESCc1cccc(NC(=O)CSc2nc3nccnc3c(=O)n2CCc2ccccc2)c1
InChIInChI=1S/C23H21N5O2S/c1-16-6-5-9-18(14-16)26-19(29)15-31-23-27-21-20(24-11-12-25-21)22(30)28(23)13-10-17-7-3-2-4-8-17/h2-9,11-12,14H,10,13,15H2,1H3,(H,26,29)
InChIKeyPZTGUIKAZPUBHY-UHFFFAOYSA-N
XLogP3.47
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxopteridin-2-yl]sulfanyl-N-(3-methylphenyl)acetamide
CID 22518548
2-ethylsulfanyl-3-(2-phenylethyl)pteridin-4-one
CID 146271710
N-(3,4-dimethylphenyl)-2-[3-[(4-methylphenyl)methyl]-4-oxopteridin-2-yl]sulfanylacetamide
CID 22518643
2-[3-(3-methylbutyl)-4-oxopteridin-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 22518469
2-[2-(2-fluorophenyl)-2-oxoethyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one
CID 146271731
(2R)-N-(4-methylphenyl)-2-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanylbutanamide
CID 51460602
N-(3-chlorophenyl)-2-[2-ethyl-7-oxo-6-(2-phenylethyl)pyrazolo[4,3-d]pyrimidin-5-yl]sulfanylacetamide
CID 20937496
dimethyl-[3-[2-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]propyl]azanium
CID 7582822
2-[3-[(2-chlorophenyl)methyl]-4-oxopteridin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide
CID 22518318
2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide
CID 7855403
2-[2-ethyl-7-oxo-6-(2-phenylethyl)pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 20937482
2-[1-ethyl-3-methyl-7-oxo-6-(2-phenylethyl)pyrazolo[4,5-d]pyrimidin-5-yl]sulfanyl-N-(3-methylsulfanylphenyl)acetamide
CID 53050283

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanylacetamide?
The IUPAC name of N-(3-methylphenyl)-2-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanylacetamide (CID 22518383) is N-(3-methylphenyl)-2-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(3-methylphenyl)-2-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(3-methylphenyl)-2-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanylacetamide is Cc1cccc(NC(=O)CSc2nc3nccnc3c(=O)n2CCc2ccccc2)c1.
What is the InChIKey of N-(3-methylphenyl)-2-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanylacetamide?
The InChIKey is PZTGUIKAZPUBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2S/c1-16-6-5-9-18(14-16)26-19(29)15-31-23-27-21-20(24-11-12-25-21)22(30)28(23)13-10-17-7-3-2-4-8-17/h2-9,11-12,14H,10,13,15H2,1H3,(H,26,29).
What are the key properties of N-(3-methylphenyl)-2-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanylacetamide?
N-(3-methylphenyl)-2-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanylacetamide has a molecular weight of 431.52 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanylacetamide is sourced from PubChem (CID 22518383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).