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

C26H20N4O6S — CID 1188866

IUPACN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4-(1,3-dioxoisoindol-2-yl)benzamide
SMILESCc1noc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(N4C(=O)c5ccccc5C4=O)cc3)cc2)c1C
InChIInChI=1S/C26H20N4O6S/c1-15-16(2)28-36-24(15)29-37(34,35)20-13-9-18(10-14-20)27-23(31)17-7-11-19(12-8-17)30-25(32)21-5-3-4-6-22(21)26(30)33/h3-14,29H,1-2H3,(H,27,31)
InChIKeyZAZNXMDAEGJOJO-UHFFFAOYSA-N
MW516.54 g/mol
LogP4.15
Rot. Bonds6

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

N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4-(1,3-dioxoisoindol-2-yl)benzamide (PubChem CID 1188866) has the molecular formula C26H20N4O6S and a molecular weight of 516.54 g/mol. Its IUPAC name is N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4-(1,3-dioxoisoindol-2-yl)benzamide.

Molecular Properties

Compound NameN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4-(1,3-dioxoisoindol-2-yl)benzamide
PubChem CID1188866
Molecular FormulaC26H20N4O6S
Molecular Weight516.54 g/mol
Exact Mass516.11
IUPAC NameN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4-(1,3-dioxoisoindol-2-yl)benzamide
SMILESCc1noc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(N4C(=O)c5ccccc5C4=O)cc3)cc2)c1C
InChIInChI=1S/C26H20N4O6S/c1-15-16(2)28-36-24(15)29-37(34,35)20-13-9-18(10-14-20)27-23(31)17-7-11-19(12-8-17)30-25(32)21-5-3-4-6-22(21)26(30)33/h3-14,29H,1-2H3,(H,27,31)
InChIKeyZAZNXMDAEGJOJO-UHFFFAOYSA-N
XLogP4.15
TPSA138.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.54
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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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]-4-(1,3-dioxoisoindol-2-yl)benzamide?
The IUPAC name of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4-(1,3-dioxoisoindol-2-yl)benzamide (CID 1188866) is N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4-(1,3-dioxoisoindol-2-yl)benzamide.
What is the SMILES notation for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4-(1,3-dioxoisoindol-2-yl)benzamide?
The canonical SMILES for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4-(1,3-dioxoisoindol-2-yl)benzamide is Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(N4C(=O)c5ccccc5C4=O)cc3)cc2)c1C.
What is the InChIKey of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4-(1,3-dioxoisoindol-2-yl)benzamide?
The InChIKey is ZAZNXMDAEGJOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O6S/c1-15-16(2)28-36-24(15)29-37(34,35)20-13-9-18(10-14-20)27-23(31)17-7-11-19(12-8-17)30-25(32)21-5-3-4-6-22(21)26(30)33/h3-14,29H,1-2H3,(H,27,31).
What are the key properties of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4-(1,3-dioxoisoindol-2-yl)benzamide?
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4-(1,3-dioxoisoindol-2-yl)benzamide has a molecular weight of 516.54 g/mol, XLogP of 4.15, 6 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]-4-(1,3-dioxoisoindol-2-yl)benzamide is sourced from PubChem (CID 1188866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).