2-(6-aminopurin-9-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

C15H17N7O3S — CID 134812637

IUPAC2-(6-aminopurin-9-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESNc1ncnc2c1ncn2CC(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H17N7O3S/c16-14-13-15(20-8-19-14)22(9-21-13)7-12(23)18-6-5-10-1-3-11(4-2-10)26(17,24)25/h1-4,8-9H,5-7H2,(H,18,23)(H2,16,19,20)(H2,17,24,25)
InChIKeyPUMWMJFQZZVYPO-UHFFFAOYSA-N
MW375.41 g/mol
LogP-0.59
Rot. Bonds6

About 2-(6-aminopurin-9-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

2-(6-aminopurin-9-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 134812637) has the molecular formula C15H17N7O3S and a molecular weight of 375.41 g/mol. Its IUPAC name is 2-(6-aminopurin-9-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(6-aminopurin-9-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID134812637
Molecular FormulaC15H17N7O3S
Molecular Weight375.41 g/mol
Exact Mass375.11
IUPAC Name2-(6-aminopurin-9-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESNc1ncnc2c1ncn2CC(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H17N7O3S/c16-14-13-15(20-8-19-14)22(9-21-13)7-12(23)18-6-5-10-1-3-11(4-2-10)26(17,24)25/h1-4,8-9H,5-7H2,(H,18,23)(H2,16,19,20)(H2,17,24,25)
InChIKeyPUMWMJFQZZVYPO-UHFFFAOYSA-N
XLogP-0.59
TPSA158.88 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(6-aminopurin-9-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-(6-aminopurin-9-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (CID 134812637) is 2-(6-aminopurin-9-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(6-aminopurin-9-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(6-aminopurin-9-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is Nc1ncnc2c1ncn2CC(=O)NCCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-(6-aminopurin-9-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is PUMWMJFQZZVYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O3S/c16-14-13-15(20-8-19-14)22(9-21-13)7-12(23)18-6-5-10-1-3-11(4-2-10)26(17,24)25/h1-4,8-9H,5-7H2,(H,18,23)(H2,16,19,20)(H2,17,24,25).
What are the key properties of 2-(6-aminopurin-9-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
2-(6-aminopurin-9-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 375.41 g/mol, XLogP of -0.59, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-aminopurin-9-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 134812637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).