4-(6-amino-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene-5-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide

C24H24N4O4S2 — CID 25036373

IUPAC4-(6-amino-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene-5-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(C(=O)c3sc4nc5c(cc4c3N)CCCCCC5)cc2)no1
InChIInChI=1S/C24H24N4O4S2/c1-14-12-20(27-32-14)28-34(30,31)17-10-8-15(9-11-17)22(29)23-21(25)18-13-16-6-4-2-3-5-7-19(16)26-24(18)33-23/h8-13H,2-7,25H2,1H3,(H,27,28)
InChIKeyXPXWOXSSHLSHQM-UHFFFAOYSA-N
MW496.61 g/mol
LogP4.87
Rot. Bonds5

About 4-(6-amino-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene-5-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide

4-(6-amino-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene-5-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide (PubChem CID 25036373) has the molecular formula C24H24N4O4S2 and a molecular weight of 496.61 g/mol. Its IUPAC name is 4-(6-amino-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene-5-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(6-amino-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene-5-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
PubChem CID25036373
Molecular FormulaC24H24N4O4S2
Molecular Weight496.61 g/mol
Exact Mass496.12
IUPAC Name4-(6-amino-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene-5-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(C(=O)c3sc4nc5c(cc4c3N)CCCCCC5)cc2)no1
InChIInChI=1S/C24H24N4O4S2/c1-14-12-20(27-32-14)28-34(30,31)17-10-8-15(9-11-17)22(29)23-21(25)18-13-16-6-4-2-3-5-7-19(16)26-24(18)33-23/h8-13H,2-7,25H2,1H3,(H,27,28)
InChIKeyXPXWOXSSHLSHQM-UHFFFAOYSA-N
XLogP4.87
TPSA128.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.61
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-(6-amino-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene-5-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene-5-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-(6-amino-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene-5-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide (CID 25036373) is 4-(6-amino-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene-5-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-(6-amino-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene-5-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-(6-amino-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene-5-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide is Cc1cc(NS(=O)(=O)c2ccc(C(=O)c3sc4nc5c(cc4c3N)CCCCCC5)cc2)no1.
What is the InChIKey of 4-(6-amino-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene-5-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The InChIKey is XPXWOXSSHLSHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4S2/c1-14-12-20(27-32-14)28-34(30,31)17-10-8-15(9-11-17)22(29)23-21(25)18-13-16-6-4-2-3-5-7-19(16)26-24(18)33-23/h8-13H,2-7,25H2,1H3,(H,27,28).
What are the key properties of 4-(6-amino-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene-5-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
4-(6-amino-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene-5-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide has a molecular weight of 496.61 g/mol, XLogP of 4.87, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-amino-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene-5-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 25036373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).