4-(2-ethylsulfanyl-4-oxopteridin-3-yl)benzamide

C15H13N5O2S — CID 146271720

IUPAC4-(2-ethylsulfanyl-4-oxopteridin-3-yl)benzamide
SMILESCCSc1nc2nccnc2c(=O)n1-c1ccc(C(N)=O)cc1
InChIInChI=1S/C15H13N5O2S/c1-2-23-15-19-13-11(17-7-8-18-13)14(22)20(15)10-5-3-9(4-6-10)12(16)21/h3-8H,2H2,1H3,(H2,16,21)
InChIKeyGLUXQXTZSAQVGH-UHFFFAOYSA-N
MW327.37 g/mol
LogP1.39
Rot. Bonds4

About 4-(2-ethylsulfanyl-4-oxopteridin-3-yl)benzamide

4-(2-ethylsulfanyl-4-oxopteridin-3-yl)benzamide (PubChem CID 146271720) has the molecular formula C15H13N5O2S and a molecular weight of 327.37 g/mol. Its IUPAC name is 4-(2-ethylsulfanyl-4-oxopteridin-3-yl)benzamide.

Molecular Properties

Compound Name4-(2-ethylsulfanyl-4-oxopteridin-3-yl)benzamide
PubChem CID146271720
Molecular FormulaC15H13N5O2S
Molecular Weight327.37 g/mol
Exact Mass327.08
IUPAC Name4-(2-ethylsulfanyl-4-oxopteridin-3-yl)benzamide
SMILESCCSc1nc2nccnc2c(=O)n1-c1ccc(C(N)=O)cc1
InChIInChI=1S/C15H13N5O2S/c1-2-23-15-19-13-11(17-7-8-18-13)14(22)20(15)10-5-3-9(4-6-10)12(16)21/h3-8H,2H2,1H3,(H2,16,21)
InChIKeyGLUXQXTZSAQVGH-UHFFFAOYSA-N
XLogP1.39
TPSA103.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-ethylsulfanyl-3-(2-phenylethyl)pteridin-4-one
CID 146271710
4-[4-oxo-2-[2-oxo-3-(1,3-thiazol-2-yl)propyl]sulfanylpteridin-3-yl]benzonitrile
CID 166003591
2-ethylsulfanyl-3-phenyl-8-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-one
CID 69459139
3-(2,2-difluoro-2-phenylethyl)-2-ethylsulfanylpteridin-4-one
CID 146271699
2-methyl-3-(4-propylphenyl)pteridin-4-one
CID 70850615
2-ethylsulfanyl-3-[2-(3-fluorophenyl)ethyl]pteridin-4-one
CID 146271715
2-ethylsulfanyl-1-phenyl-7H-purin-6-one
CID 4979591
2-[[4-(4-carbamoylphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 29074490
2-ethylsulfanyl-3-(4-fluorophenyl)quinazolin-4-one
CID 2652423
N-[[5-ethylsulfanyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide
CID 3673164
N,N'-diamino-3-[2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-oxopteridin-3-yl]benzenecarboximidamide
CID 146271744
6-amino-5-bromo-2-ethylsulfanyl-3-[4-(2,2,2-trifluoroethoxy)phenyl]pyrimidin-4-one;6-amino-2-ethylsulfanyl-3-[4-(2,2,2-trifluoroethoxy)phenyl]pyrimidin-4-one
CID 159127808

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylsulfanyl-4-oxopteridin-3-yl)benzamide?
The IUPAC name of 4-(2-ethylsulfanyl-4-oxopteridin-3-yl)benzamide (CID 146271720) is 4-(2-ethylsulfanyl-4-oxopteridin-3-yl)benzamide.
What is the SMILES notation for 4-(2-ethylsulfanyl-4-oxopteridin-3-yl)benzamide?
The canonical SMILES for 4-(2-ethylsulfanyl-4-oxopteridin-3-yl)benzamide is CCSc1nc2nccnc2c(=O)n1-c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-(2-ethylsulfanyl-4-oxopteridin-3-yl)benzamide?
The InChIKey is GLUXQXTZSAQVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2S/c1-2-23-15-19-13-11(17-7-8-18-13)14(22)20(15)10-5-3-9(4-6-10)12(16)21/h3-8H,2H2,1H3,(H2,16,21).
What are the key properties of 4-(2-ethylsulfanyl-4-oxopteridin-3-yl)benzamide?
4-(2-ethylsulfanyl-4-oxopteridin-3-yl)benzamide has a molecular weight of 327.37 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylsulfanyl-4-oxopteridin-3-yl)benzamide is sourced from PubChem (CID 146271720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).