2-(8-methyl-4-oxoquinazolin-3-yl)-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide

C16H16N4O4S2 — CID 51111026

IUPAC2-(8-methyl-4-oxoquinazolin-3-yl)-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide
SMILESCc1cccc2c(=O)n(CC(=O)NCc3ccc(S(N)(=O)=O)s3)cnc12
InChIInChI=1S/C16H16N4O4S2/c1-10-3-2-4-12-15(10)19-9-20(16(12)22)8-13(21)18-7-11-5-6-14(25-11)26(17,23)24/h2-6,9H,7-8H2,1H3,(H,18,21)(H2,17,23,24)
InChIKeyLWYOVPPBVLNQCH-UHFFFAOYSA-N
MW392.46 g/mol
LogP0.73
Rot. Bonds5

About 2-(8-methyl-4-oxoquinazolin-3-yl)-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide

2-(8-methyl-4-oxoquinazolin-3-yl)-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide (PubChem CID 51111026) has the molecular formula C16H16N4O4S2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-(8-methyl-4-oxoquinazolin-3-yl)-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(8-methyl-4-oxoquinazolin-3-yl)-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide
PubChem CID51111026
Molecular FormulaC16H16N4O4S2
Molecular Weight392.46 g/mol
Exact Mass392.06
IUPAC Name2-(8-methyl-4-oxoquinazolin-3-yl)-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide
SMILESCc1cccc2c(=O)n(CC(=O)NCc3ccc(S(N)(=O)=O)s3)cnc12
InChIInChI=1S/C16H16N4O4S2/c1-10-3-2-4-12-15(10)19-9-20(16(12)22)8-13(21)18-7-11-5-6-14(25-11)26(17,23)24/h2-6,9H,7-8H2,1H3,(H,18,21)(H2,17,23,24)
InChIKeyLWYOVPPBVLNQCH-UHFFFAOYSA-N
XLogP0.73
TPSA124.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(8-methyl-4-oxoquinazolin-3-yl)-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide?
The IUPAC name of 2-(8-methyl-4-oxoquinazolin-3-yl)-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide (CID 51111026) is 2-(8-methyl-4-oxoquinazolin-3-yl)-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(8-methyl-4-oxoquinazolin-3-yl)-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2-(8-methyl-4-oxoquinazolin-3-yl)-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide is Cc1cccc2c(=O)n(CC(=O)NCc3ccc(S(N)(=O)=O)s3)cnc12.
What is the InChIKey of 2-(8-methyl-4-oxoquinazolin-3-yl)-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide?
The InChIKey is LWYOVPPBVLNQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O4S2/c1-10-3-2-4-12-15(10)19-9-20(16(12)22)8-13(21)18-7-11-5-6-14(25-11)26(17,23)24/h2-6,9H,7-8H2,1H3,(H,18,21)(H2,17,23,24).
What are the key properties of 2-(8-methyl-4-oxoquinazolin-3-yl)-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide?
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide has a molecular weight of 392.46 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methyl-4-oxoquinazolin-3-yl)-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 51111026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).