2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-sulfamoylphenyl)acetamide

C18H18N4O4S2 — CID 55752458

IUPAC2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-sulfamoylphenyl)acetamide
SMILESCc1ccc2nc(SCC(=O)Nc3cccc(S(N)(=O)=O)c3)n(C)c(=O)c2c1
InChIInChI=1S/C18H18N4O4S2/c1-11-6-7-15-14(8-11)17(24)22(2)18(21-15)27-10-16(23)20-12-4-3-5-13(9-12)28(19,25)26/h3-9H,10H2,1-2H3,(H,20,23)(H2,19,25,26)
InChIKeyADQKSVCAWMIWSE-UHFFFAOYSA-N
MW418.50 g/mol
LogP1.62
Rot. Bonds5

About 2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-sulfamoylphenyl)acetamide

2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-sulfamoylphenyl)acetamide (PubChem CID 55752458) has the molecular formula C18H18N4O4S2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-sulfamoylphenyl)acetamide
PubChem CID55752458
Molecular FormulaC18H18N4O4S2
Molecular Weight418.50 g/mol
Exact Mass418.08
IUPAC Name2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-sulfamoylphenyl)acetamide
SMILESCc1ccc2nc(SCC(=O)Nc3cccc(S(N)(=O)=O)c3)n(C)c(=O)c2c1
InChIInChI=1S/C18H18N4O4S2/c1-11-6-7-15-14(8-11)17(24)22(2)18(21-15)27-10-16(23)20-12-4-3-5-13(9-12)28(19,25)26/h3-9H,10H2,1-2H3,(H,20,23)(H2,19,25,26)
InChIKeyADQKSVCAWMIWSE-UHFFFAOYSA-N
XLogP1.62
TPSA124.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-sulfamoylphenyl)acetamide
CID 41498514
2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-sulfamoylphenyl)acetamide
CID 55318349
ethyl 3-[[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]benzoate
CID 1155371
N-(3-hydroxyphenyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 864135
2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)propanamide
CID 55752339
N-(9,10-dioxoanthracen-2-yl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 4264727
2-[1-(4-methylphenyl)-5-phenylimidazol-2-yl]sulfanyl-N-(3-sulfamoylphenyl)acetamide
CID 46806459
2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(1-phenylcyclobutyl)methyl]acetamide
CID 55752674
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(3-sulfamoylphenyl)acetamide
CID 7363718
N-(3-methylphenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 1273453
2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methylcyclohexyl)acetamide
CID 47044762
2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-sulfamoylphenyl)acetamide
CID 55317415

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-sulfamoylphenyl)acetamide?
The IUPAC name of 2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-sulfamoylphenyl)acetamide (CID 55752458) is 2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-sulfamoylphenyl)acetamide is Cc1ccc2nc(SCC(=O)Nc3cccc(S(N)(=O)=O)c3)n(C)c(=O)c2c1.
What is the InChIKey of 2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-sulfamoylphenyl)acetamide?
The InChIKey is ADQKSVCAWMIWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4S2/c1-11-6-7-15-14(8-11)17(24)22(2)18(21-15)27-10-16(23)20-12-4-3-5-13(9-12)28(19,25)26/h3-9H,10H2,1-2H3,(H,20,23)(H2,19,25,26).
What are the key properties of 2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-sulfamoylphenyl)acetamide?
2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-sulfamoylphenyl)acetamide has a molecular weight of 418.50 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-sulfamoylphenyl)acetamide is sourced from PubChem (CID 55752458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).