N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-[methyl(phenyl)sulfamoyl]benzamide

C25H24N4O6S2 — CID 2332893

IUPACN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-[methyl(phenyl)sulfamoyl]benzamide
SMILESCc1noc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(S(=O)(=O)N(C)c4ccccc4)c3)cc2)c1C
InChIInChI=1S/C25H24N4O6S2/c1-17-18(2)27-35-25(17)28-36(31,32)22-14-12-20(13-15-22)26-24(30)19-8-7-11-23(16-19)37(33,34)29(3)21-9-5-4-6-10-21/h4-16,28H,1-3H3,(H,26,30)
InChIKeyZCNQHKRUPDFZIC-UHFFFAOYSA-N
MW540.62 g/mol
LogP4.17
Rot. Bonds8

About N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-[methyl(phenyl)sulfamoyl]benzamide

N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-[methyl(phenyl)sulfamoyl]benzamide (PubChem CID 2332893) has the molecular formula C25H24N4O6S2 and a molecular weight of 540.62 g/mol. Its IUPAC name is N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-[methyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-[methyl(phenyl)sulfamoyl]benzamide
PubChem CID2332893
Molecular FormulaC25H24N4O6S2
Molecular Weight540.62 g/mol
Exact Mass540.11
IUPAC NameN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-[methyl(phenyl)sulfamoyl]benzamide
SMILESCc1noc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(S(=O)(=O)N(C)c4ccccc4)c3)cc2)c1C
InChIInChI=1S/C25H24N4O6S2/c1-17-18(2)27-35-25(17)28-36(31,32)22-14-12-20(13-15-22)26-24(30)19-8-7-11-23(16-19)37(33,34)29(3)21-9-5-4-6-10-21/h4-16,28H,1-3H3,(H,26,30)
InChIKeyZCNQHKRUPDFZIC-UHFFFAOYSA-N
XLogP4.17
TPSA138.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.62
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-[methyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-[methyl(phenyl)sulfamoyl]benzamide (CID 2332893) is N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-[methyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-[methyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-[methyl(phenyl)sulfamoyl]benzamide is Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(S(=O)(=O)N(C)c4ccccc4)c3)cc2)c1C.
What is the InChIKey of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-[methyl(phenyl)sulfamoyl]benzamide?
The InChIKey is ZCNQHKRUPDFZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O6S2/c1-17-18(2)27-35-25(17)28-36(31,32)22-14-12-20(13-15-22)26-24(30)19-8-7-11-23(16-19)37(33,34)29(3)21-9-5-4-6-10-21/h4-16,28H,1-3H3,(H,26,30).
What are the key properties of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-[methyl(phenyl)sulfamoyl]benzamide?
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-[methyl(phenyl)sulfamoyl]benzamide has a molecular weight of 540.62 g/mol, XLogP of 4.17, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-[methyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 2332893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).