2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-sulfamoylphenyl)acetamide

C15H16N6O5S — CID 2880528

IUPAC2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-sulfamoylphenyl)acetamide
SMILESCn1c(=O)c2c(ncn2CC(=O)Nc2ccc(S(N)(=O)=O)cc2)n(C)c1=O
InChIInChI=1S/C15H16N6O5S/c1-19-13-12(14(23)20(2)15(19)24)21(8-17-13)7-11(22)18-9-3-5-10(6-4-9)27(16,25)26/h3-6,8H,7H2,1-2H3,(H,18,22)(H2,16,25,26)
InChIKeyTYMMYRXZAZTECB-UHFFFAOYSA-N
MW392.40 g/mol
LogP-1.28
Rot. Bonds4

About 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-sulfamoylphenyl)acetamide

2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-sulfamoylphenyl)acetamide (PubChem CID 2880528) has the molecular formula C15H16N6O5S and a molecular weight of 392.40 g/mol. Its IUPAC name is 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-sulfamoylphenyl)acetamide
PubChem CID2880528
Molecular FormulaC15H16N6O5S
Molecular Weight392.40 g/mol
Exact Mass392.09
IUPAC Name2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-sulfamoylphenyl)acetamide
SMILESCn1c(=O)c2c(ncn2CC(=O)Nc2ccc(S(N)(=O)=O)cc2)n(C)c1=O
InChIInChI=1S/C15H16N6O5S/c1-19-13-12(14(23)20(2)15(19)24)21(8-17-13)7-11(22)18-9-3-5-10(6-4-9)27(16,25)26/h3-6,8H,7H2,1-2H3,(H,18,22)(H2,16,25,26)
InChIKeyTYMMYRXZAZTECB-UHFFFAOYSA-N
XLogP-1.28
TPSA151.08 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.40
LogP ≤ 5-1.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-sulfamoylphenyl)acetamide (CID 2880528) is 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-sulfamoylphenyl)acetamide is Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(S(N)(=O)=O)cc2)n(C)c1=O.
What is the InChIKey of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is TYMMYRXZAZTECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O5S/c1-19-13-12(14(23)20(2)15(19)24)21(8-17-13)7-11(22)18-9-3-5-10(6-4-9)27(16,25)26/h3-6,8H,7H2,1-2H3,(H,18,22)(H2,16,25,26).
What are the key properties of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-sulfamoylphenyl)acetamide?
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 392.40 g/mol, XLogP of -1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 2880528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).