N-(5-methyl-1,2-oxazol-3-yl)-2-[4-oxo-3-(4-sulfamoylphenyl)quinazolin-2-yl]sulfanylacetamide

C20H17N5O5S2 — CID 162676900

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-[4-oxo-3-(4-sulfamoylphenyl)quinazolin-2-yl]sulfanylacetamide
SMILESCc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(S(N)(=O)=O)cc2)no1
InChIInChI=1S/C20H17N5O5S2/c1-12-10-17(24-30-12)23-18(26)11-31-20-22-16-5-3-2-4-15(16)19(27)25(20)13-6-8-14(9-7-13)32(21,28)29/h2-10H,11H2,1H3,(H2,21,28,29)(H,23,24,26)
InChIKeyGRYIEMWCIWRHKN-UHFFFAOYSA-N
MW471.52 g/mol
LogP2.06
Rot. Bonds6

About N-(5-methyl-1,2-oxazol-3-yl)-2-[4-oxo-3-(4-sulfamoylphenyl)quinazolin-2-yl]sulfanylacetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-[4-oxo-3-(4-sulfamoylphenyl)quinazolin-2-yl]sulfanylacetamide (PubChem CID 162676900) has the molecular formula C20H17N5O5S2 and a molecular weight of 471.52 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[4-oxo-3-(4-sulfamoylphenyl)quinazolin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-[4-oxo-3-(4-sulfamoylphenyl)quinazolin-2-yl]sulfanylacetamide
PubChem CID162676900
Molecular FormulaC20H17N5O5S2
Molecular Weight471.52 g/mol
Exact Mass471.07
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-[4-oxo-3-(4-sulfamoylphenyl)quinazolin-2-yl]sulfanylacetamide
SMILESCc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(S(N)(=O)=O)cc2)no1
InChIInChI=1S/C20H17N5O5S2/c1-12-10-17(24-30-12)23-18(26)11-31-20-22-16-5-3-2-4-15(16)19(27)25(20)13-6-8-14(9-7-13)32(21,28)29/h2-10H,11H2,1H3,(H2,21,28,29)(H,23,24,26)
InChIKeyGRYIEMWCIWRHKN-UHFFFAOYSA-N
XLogP2.06
TPSA150.18 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.52
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[4-oxo-3-(4-sulfamoylphenyl)quinazolin-2-yl]sulfanylacetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[4-oxo-3-(4-sulfamoylphenyl)quinazolin-2-yl]sulfanylacetamide (CID 162676900) is N-(5-methyl-1,2-oxazol-3-yl)-2-[4-oxo-3-(4-sulfamoylphenyl)quinazolin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[4-oxo-3-(4-sulfamoylphenyl)quinazolin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[4-oxo-3-(4-sulfamoylphenyl)quinazolin-2-yl]sulfanylacetamide is Cc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(S(N)(=O)=O)cc2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[4-oxo-3-(4-sulfamoylphenyl)quinazolin-2-yl]sulfanylacetamide?
The InChIKey is GRYIEMWCIWRHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O5S2/c1-12-10-17(24-30-12)23-18(26)11-31-20-22-16-5-3-2-4-15(16)19(27)25(20)13-6-8-14(9-7-13)32(21,28)29/h2-10H,11H2,1H3,(H2,21,28,29)(H,23,24,26).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[4-oxo-3-(4-sulfamoylphenyl)quinazolin-2-yl]sulfanylacetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-oxo-3-(4-sulfamoylphenyl)quinazolin-2-yl]sulfanylacetamide has a molecular weight of 471.52 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-[4-oxo-3-(4-sulfamoylphenyl)quinazolin-2-yl]sulfanylacetamide is sourced from PubChem (CID 162676900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).