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

C19H16N4O4S — CID 108797463

IUPAC3-cyano-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]benzamide
SMILESCc1noc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(C#N)c3)cc2)c1C
InChIInChI=1S/C19H16N4O4S/c1-12-13(2)22-27-19(12)23-28(25,26)17-8-6-16(7-9-17)21-18(24)15-5-3-4-14(10-15)11-20/h3-10,23H,1-2H3,(H,21,24)
InChIKeyQOGAZKQLYSIUSI-UHFFFAOYSA-N
MW396.43 g/mol
LogP3.22
Rot. Bonds5

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

3-cyano-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]benzamide (PubChem CID 108797463) has the molecular formula C19H16N4O4S and a molecular weight of 396.43 g/mol. Its IUPAC name is 3-cyano-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]benzamide
PubChem CID108797463
Molecular FormulaC19H16N4O4S
Molecular Weight396.43 g/mol
Exact Mass396.09
IUPAC Name3-cyano-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]benzamide
SMILESCc1noc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(C#N)c3)cc2)c1C
InChIInChI=1S/C19H16N4O4S/c1-12-13(2)22-27-19(12)23-28(25,26)17-8-6-16(7-9-17)21-18(24)15-5-3-4-14(10-15)11-20/h3-10,23H,1-2H3,(H,21,24)
InChIKeyQOGAZKQLYSIUSI-UHFFFAOYSA-N
XLogP3.22
TPSA125.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-bromo-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]benzamide
CID 1184444
2-N,6-N-bis[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]pyridine-2,6-dicarboxamide
CID 4119855
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4-phenylbenzamide
CID 1107623
3-cyano-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]benzamide
CID 2095364
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4-ethylbenzamide
CID 19225858
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108784648
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4,6-dimethylpyridine-2-carboxamide
CID 19224388
N-(3-cyanophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzamide
CID 109065841
3-cyano-N-[4-(cyclohexylsulfamoyl)phenyl]benzamide
CID 108808703
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-8-methyl-4-oxochromene-2-carboxamide
CID 19119129
4-amino-2-anilino-5-cyano-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]thiophene-3-carboxamide
CID 118710641
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide
CID 5046522

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 3-cyano-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]benzamide (CID 108797463) is 3-cyano-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 3-cyano-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 3-cyano-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]benzamide is Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(C#N)c3)cc2)c1C.
What is the InChIKey of 3-cyano-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]benzamide?
The InChIKey is QOGAZKQLYSIUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O4S/c1-12-13(2)22-27-19(12)23-28(25,26)17-8-6-16(7-9-17)21-18(24)15-5-3-4-14(10-15)11-20/h3-10,23H,1-2H3,(H,21,24).
What are the key properties of 3-cyano-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]benzamide?
3-cyano-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]benzamide has a molecular weight of 396.43 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 108797463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).