2-quinazolin-4-ylsulfanyl-N-(3-sulfamoylphenyl)acetamide

C16H14N4O3S2 — CID 3433386

IUPAC2-quinazolin-4-ylsulfanyl-N-(3-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1cccc(NC(=O)CSc2ncnc3ccccc23)c1
InChIInChI=1S/C16H14N4O3S2/c17-25(22,23)12-5-3-4-11(8-12)20-15(21)9-24-16-13-6-1-2-7-14(13)18-10-19-16/h1-8,10H,9H2,(H,20,21)(H2,17,22,23)
InChIKeyLXKQZJATUNGSQM-UHFFFAOYSA-N
MW374.45 g/mol
LogP2.01
Rot. Bonds5

About 2-quinazolin-4-ylsulfanyl-N-(3-sulfamoylphenyl)acetamide

2-quinazolin-4-ylsulfanyl-N-(3-sulfamoylphenyl)acetamide (PubChem CID 3433386) has the molecular formula C16H14N4O3S2 and a molecular weight of 374.45 g/mol. Its IUPAC name is 2-quinazolin-4-ylsulfanyl-N-(3-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-quinazolin-4-ylsulfanyl-N-(3-sulfamoylphenyl)acetamide
PubChem CID3433386
Molecular FormulaC16H14N4O3S2
Molecular Weight374.45 g/mol
Exact Mass374.05
IUPAC Name2-quinazolin-4-ylsulfanyl-N-(3-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1cccc(NC(=O)CSc2ncnc3ccccc23)c1
InChIInChI=1S/C16H14N4O3S2/c17-25(22,23)12-5-3-4-11(8-12)20-15(21)9-24-16-13-6-1-2-7-14(13)18-10-19-16/h1-8,10H,9H2,(H,20,21)(H2,17,22,23)
InChIKeyLXKQZJATUNGSQM-UHFFFAOYSA-N
XLogP2.01
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-quinazolin-4-ylsulfanyl-N-(3-sulfamoylphenyl)acetamide?
The IUPAC name of 2-quinazolin-4-ylsulfanyl-N-(3-sulfamoylphenyl)acetamide (CID 3433386) is 2-quinazolin-4-ylsulfanyl-N-(3-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-quinazolin-4-ylsulfanyl-N-(3-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-quinazolin-4-ylsulfanyl-N-(3-sulfamoylphenyl)acetamide is NS(=O)(=O)c1cccc(NC(=O)CSc2ncnc3ccccc23)c1.
What is the InChIKey of 2-quinazolin-4-ylsulfanyl-N-(3-sulfamoylphenyl)acetamide?
The InChIKey is LXKQZJATUNGSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3S2/c17-25(22,23)12-5-3-4-11(8-12)20-15(21)9-24-16-13-6-1-2-7-14(13)18-10-19-16/h1-8,10H,9H2,(H,20,21)(H2,17,22,23).
What are the key properties of 2-quinazolin-4-ylsulfanyl-N-(3-sulfamoylphenyl)acetamide?
2-quinazolin-4-ylsulfanyl-N-(3-sulfamoylphenyl)acetamide has a molecular weight of 374.45 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinazolin-4-ylsulfanyl-N-(3-sulfamoylphenyl)acetamide is sourced from PubChem (CID 3433386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).