2-(3-benzyl-6-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide

C24H22N4O4S2 — CID 118714988

IUPAC2-(3-benzyl-6-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide
SMILESCc1ccc2nc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n(Cc3ccccc3)c(=O)c2c1
InChIInChI=1S/C24H22N4O4S2/c1-16-7-12-21-20(13-16)23(30)28(14-17-5-3-2-4-6-17)24(27-21)33-15-22(29)26-18-8-10-19(11-9-18)34(25,31)32/h2-13H,14-15H2,1H3,(H,26,29)(H2,25,31,32)
InChIKeySOXIKKXMABTAJX-UHFFFAOYSA-N
MW494.60 g/mol
LogP3.13
Rot. Bonds7

About 2-(3-benzyl-6-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide

2-(3-benzyl-6-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide (PubChem CID 118714988) has the molecular formula C24H22N4O4S2 and a molecular weight of 494.60 g/mol. Its IUPAC name is 2-(3-benzyl-6-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-benzyl-6-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide
PubChem CID118714988
Molecular FormulaC24H22N4O4S2
Molecular Weight494.60 g/mol
Exact Mass494.11
IUPAC Name2-(3-benzyl-6-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide
SMILESCc1ccc2nc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n(Cc3ccccc3)c(=O)c2c1
InChIInChI=1S/C24H22N4O4S2/c1-16-7-12-21-20(13-16)23(30)28(14-17-5-3-2-4-6-17)24(27-21)33-15-22(29)26-18-8-10-19(11-9-18)34(25,31)32/h2-13H,14-15H2,1H3,(H,26,29)(H2,25,31,32)
InChIKeySOXIKKXMABTAJX-UHFFFAOYSA-N
XLogP3.13
TPSA124.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.60
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-6-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-(3-benzyl-6-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide (CID 118714988) is 2-(3-benzyl-6-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-(3-benzyl-6-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-(3-benzyl-6-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide is Cc1ccc2nc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n(Cc3ccccc3)c(=O)c2c1.
What is the InChIKey of 2-(3-benzyl-6-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is SOXIKKXMABTAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4S2/c1-16-7-12-21-20(13-16)23(30)28(14-17-5-3-2-4-6-17)24(27-21)33-15-22(29)26-18-8-10-19(11-9-18)34(25,31)32/h2-13H,14-15H2,1H3,(H,26,29)(H2,25,31,32).
What are the key properties of 2-(3-benzyl-6-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide?
2-(3-benzyl-6-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 494.60 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyl-6-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 118714988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).