2-[4-oxo-3-(4-sulfamoylphenyl)benzo[g]quinazolin-2-yl]sulfanylacetamide

C20H16N4O4S2 — CID 166606872

IUPAC2-[4-oxo-3-(4-sulfamoylphenyl)benzo[g]quinazolin-2-yl]sulfanylacetamide
SMILESNC(=O)CSc1nc2cc3ccccc3cc2c(=O)n1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C20H16N4O4S2/c21-18(25)11-29-20-23-17-10-13-4-2-1-3-12(13)9-16(17)19(26)24(20)14-5-7-15(8-6-14)30(22,27)28/h1-10H,11H2,(H2,21,25)(H2,22,27,28)
InChIKeyRORQSRDWNFIYAB-UHFFFAOYSA-N
MW440.51 g/mol
LogP1.76
Rot. Bonds5

About 2-[4-oxo-3-(4-sulfamoylphenyl)benzo[g]quinazolin-2-yl]sulfanylacetamide

2-[4-oxo-3-(4-sulfamoylphenyl)benzo[g]quinazolin-2-yl]sulfanylacetamide (PubChem CID 166606872) has the molecular formula C20H16N4O4S2 and a molecular weight of 440.51 g/mol. Its IUPAC name is 2-[4-oxo-3-(4-sulfamoylphenyl)benzo[g]quinazolin-2-yl]sulfanylacetamide.

Molecular Properties

Compound Name2-[4-oxo-3-(4-sulfamoylphenyl)benzo[g]quinazolin-2-yl]sulfanylacetamide
PubChem CID166606872
Molecular FormulaC20H16N4O4S2
Molecular Weight440.51 g/mol
Exact Mass440.06
IUPAC Name2-[4-oxo-3-(4-sulfamoylphenyl)benzo[g]quinazolin-2-yl]sulfanylacetamide
SMILESNC(=O)CSc1nc2cc3ccccc3cc2c(=O)n1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C20H16N4O4S2/c21-18(25)11-29-20-23-17-10-13-4-2-1-3-12(13)9-16(17)19(26)24(20)14-5-7-15(8-6-14)30(22,27)28/h1-10H,11H2,(H2,21,25)(H2,22,27,28)
InChIKeyRORQSRDWNFIYAB-UHFFFAOYSA-N
XLogP1.76
TPSA138.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
CID 680931
N-morpholin-4-yl-2-[4-oxo-3-(4-sulfamoylphenyl)quinazolin-2-yl]sulfanylacetamide
CID 162647479
2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-sulfamoylphenyl)acetamide
CID 4842171
2-[4-oxo-3-(4-sulfamoylphenyl)quinazolin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 162655134
2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-sulfamoylphenyl)acetamide
CID 41498514
2-[(6-methyl-4-oxo-3-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
CID 50927752
2-[3-(9-ethylcarbazol-3-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 30436234
2-[3-(3-chloro-4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2680991
N-carbamoyl-2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 7253259
2-[[2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]acetamide
CID 9491410
2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetic acid
CID 1071935
N-carbamoyl-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetamide
CID 8674882

Frequently Asked Questions

What is the IUPAC name of 2-[4-oxo-3-(4-sulfamoylphenyl)benzo[g]quinazolin-2-yl]sulfanylacetamide?
The IUPAC name of 2-[4-oxo-3-(4-sulfamoylphenyl)benzo[g]quinazolin-2-yl]sulfanylacetamide (CID 166606872) is 2-[4-oxo-3-(4-sulfamoylphenyl)benzo[g]quinazolin-2-yl]sulfanylacetamide.
What is the SMILES notation for 2-[4-oxo-3-(4-sulfamoylphenyl)benzo[g]quinazolin-2-yl]sulfanylacetamide?
The canonical SMILES for 2-[4-oxo-3-(4-sulfamoylphenyl)benzo[g]quinazolin-2-yl]sulfanylacetamide is NC(=O)CSc1nc2cc3ccccc3cc2c(=O)n1-c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-[4-oxo-3-(4-sulfamoylphenyl)benzo[g]quinazolin-2-yl]sulfanylacetamide?
The InChIKey is RORQSRDWNFIYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O4S2/c21-18(25)11-29-20-23-17-10-13-4-2-1-3-12(13)9-16(17)19(26)24(20)14-5-7-15(8-6-14)30(22,27)28/h1-10H,11H2,(H2,21,25)(H2,22,27,28).
What are the key properties of 2-[4-oxo-3-(4-sulfamoylphenyl)benzo[g]quinazolin-2-yl]sulfanylacetamide?
2-[4-oxo-3-(4-sulfamoylphenyl)benzo[g]quinazolin-2-yl]sulfanylacetamide has a molecular weight of 440.51 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-oxo-3-(4-sulfamoylphenyl)benzo[g]quinazolin-2-yl]sulfanylacetamide is sourced from PubChem (CID 166606872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).