2-[4-oxo-3-(4-sulfamoylphenyl)quinazolin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide

C19H15N5O4S3 — CID 162655134

IUPAC2-[4-oxo-3-(4-sulfamoylphenyl)quinazolin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESNS(=O)(=O)c1ccc(-n2c(SCC(=O)Nc3nccs3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C19H15N5O4S3/c20-31(27,28)13-7-5-12(6-8-13)24-17(26)14-3-1-2-4-15(14)22-19(24)30-11-16(25)23-18-21-9-10-29-18/h1-10H,11H2,(H2,20,27,28)(H,21,23,25)
InChIKeyWIGWLEATCZBCEE-UHFFFAOYSA-N
MW473.56 g/mol
LogP2.22
Rot. Bonds6

About 2-[4-oxo-3-(4-sulfamoylphenyl)quinazolin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide

2-[4-oxo-3-(4-sulfamoylphenyl)quinazolin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 162655134) has the molecular formula C19H15N5O4S3 and a molecular weight of 473.56 g/mol. Its IUPAC name is 2-[4-oxo-3-(4-sulfamoylphenyl)quinazolin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-oxo-3-(4-sulfamoylphenyl)quinazolin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
PubChem CID162655134
Molecular FormulaC19H15N5O4S3
Molecular Weight473.56 g/mol
Exact Mass473.03
IUPAC Name2-[4-oxo-3-(4-sulfamoylphenyl)quinazolin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESNS(=O)(=O)c1ccc(-n2c(SCC(=O)Nc3nccs3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C19H15N5O4S3/c20-31(27,28)13-7-5-12(6-8-13)24-17(26)14-3-1-2-4-15(14)22-19(24)30-11-16(25)23-18-21-9-10-29-18/h1-10H,11H2,(H2,20,27,28)(H,21,23,25)
InChIKeyWIGWLEATCZBCEE-UHFFFAOYSA-N
XLogP2.22
TPSA137.04 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.56
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[4-oxo-3-(4-sulfamoylphenyl)quinazolin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide with MolForge

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Related Compounds

2-[4-oxo-3-(3,4,5-trifluorophenyl)quinazolin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 53308404
2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-sulfamoylphenyl)acetamide
CID 4842171
2-[4-oxo-3-[2-[4-oxo-2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylquinazolin-3-yl]ethyl]quinazolin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 46370345
2-[7-chloro-3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 31400736
N-morpholin-4-yl-2-[4-oxo-3-(4-sulfamoylphenyl)quinazolin-2-yl]sulfanylacetamide
CID 162647479
2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-sulfamoylphenyl)acetamide
CID 41498514
N-(4-methylphenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 986884
N-(2-bromophenyl)-2-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 3675546
2-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-sulfamoylphenyl)acetamide
CID 25038601
N-(4-acetamidophenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
CID 4543308
2-[4-oxo-3-(4-sulfamoylphenyl)benzo[g]quinazolin-2-yl]sulfanylacetamide
CID 166606872
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 23737172

Frequently Asked Questions

What is the IUPAC name of 2-[4-oxo-3-(4-sulfamoylphenyl)quinazolin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-oxo-3-(4-sulfamoylphenyl)quinazolin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide (CID 162655134) is 2-[4-oxo-3-(4-sulfamoylphenyl)quinazolin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-oxo-3-(4-sulfamoylphenyl)quinazolin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-oxo-3-(4-sulfamoylphenyl)quinazolin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide is NS(=O)(=O)c1ccc(-n2c(SCC(=O)Nc3nccs3)nc3ccccc3c2=O)cc1.
What is the InChIKey of 2-[4-oxo-3-(4-sulfamoylphenyl)quinazolin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is WIGWLEATCZBCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O4S3/c20-31(27,28)13-7-5-12(6-8-13)24-17(26)14-3-1-2-4-15(14)22-19(24)30-11-16(25)23-18-21-9-10-29-18/h1-10H,11H2,(H2,20,27,28)(H,21,23,25).
What are the key properties of 2-[4-oxo-3-(4-sulfamoylphenyl)quinazolin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
2-[4-oxo-3-(4-sulfamoylphenyl)quinazolin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 473.56 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-oxo-3-(4-sulfamoylphenyl)quinazolin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 162655134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).