2-(2,6-dioxo-3H-purin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide

C17H13N5O3S — CID 86763717

IUPAC2-(2,6-dioxo-3H-purin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide
SMILESO=C(Cn1cnc2[nH]c(=O)[nH]c(=O)c21)Nc1ccc(-c2ccsc2)cc1
InChIInChI=1S/C17H13N5O3S/c23-13(7-22-9-18-15-14(22)16(24)21-17(25)20-15)19-12-3-1-10(2-4-12)11-5-6-26-8-11/h1-6,8-9H,7H2,(H,19,23)(H2,20,21,24,25)
InChIKeyHMNVEVWFUXWQFV-UHFFFAOYSA-N
MW367.39 g/mol
LogP1.78
Rot. Bonds4

About 2-(2,6-dioxo-3H-purin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide

2-(2,6-dioxo-3H-purin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide (PubChem CID 86763717) has the molecular formula C17H13N5O3S and a molecular weight of 367.39 g/mol. Its IUPAC name is 2-(2,6-dioxo-3H-purin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,6-dioxo-3H-purin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide
PubChem CID86763717
Molecular FormulaC17H13N5O3S
Molecular Weight367.39 g/mol
Exact Mass367.07
IUPAC Name2-(2,6-dioxo-3H-purin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide
SMILESO=C(Cn1cnc2[nH]c(=O)[nH]c(=O)c21)Nc1ccc(-c2ccsc2)cc1
InChIInChI=1S/C17H13N5O3S/c23-13(7-22-9-18-15-14(22)16(24)21-17(25)20-15)19-12-3-1-10(2-4-12)11-5-6-26-8-11/h1-6,8-9H,7H2,(H,19,23)(H2,20,21,24,25)
InChIKeyHMNVEVWFUXWQFV-UHFFFAOYSA-N
XLogP1.78
TPSA112.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.39
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxo-3H-purin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide?
The IUPAC name of 2-(2,6-dioxo-3H-purin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide (CID 86763717) is 2-(2,6-dioxo-3H-purin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide.
What is the SMILES notation for 2-(2,6-dioxo-3H-purin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide?
The canonical SMILES for 2-(2,6-dioxo-3H-purin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide is O=C(Cn1cnc2[nH]c(=O)[nH]c(=O)c21)Nc1ccc(-c2ccsc2)cc1.
What is the InChIKey of 2-(2,6-dioxo-3H-purin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide?
The InChIKey is HMNVEVWFUXWQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O3S/c23-13(7-22-9-18-15-14(22)16(24)21-17(25)20-15)19-12-3-1-10(2-4-12)11-5-6-26-8-11/h1-6,8-9H,7H2,(H,19,23)(H2,20,21,24,25).
What are the key properties of 2-(2,6-dioxo-3H-purin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide?
2-(2,6-dioxo-3H-purin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide has a molecular weight of 367.39 g/mol, XLogP of 1.78, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxo-3H-purin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide is sourced from PubChem (CID 86763717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).