N-[3-[methyl(phenyl)sulfamoyl]phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide

C23H21N3O4S — CID 55865249

IUPACN-[3-[methyl(phenyl)sulfamoyl]phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)C2=NOC(c3ccccc3)C2)c1
InChIInChI=1S/C23H21N3O4S/c1-26(19-12-6-3-7-13-19)31(28,29)20-14-8-11-18(15-20)24-23(27)21-16-22(30-25-21)17-9-4-2-5-10-17/h2-15,22H,16H2,1H3,(H,24,27)
InChIKeyFSDQSIHUSJKQPX-UHFFFAOYSA-N
MW435.51 g/mol
LogP3.97
Rot. Bonds6

About N-[3-[methyl(phenyl)sulfamoyl]phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide

N-[3-[methyl(phenyl)sulfamoyl]phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide (PubChem CID 55865249) has the molecular formula C23H21N3O4S and a molecular weight of 435.51 g/mol. Its IUPAC name is N-[3-[methyl(phenyl)sulfamoyl]phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[methyl(phenyl)sulfamoyl]phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
PubChem CID55865249
Molecular FormulaC23H21N3O4S
Molecular Weight435.51 g/mol
Exact Mass435.13
IUPAC NameN-[3-[methyl(phenyl)sulfamoyl]phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)C2=NOC(c3ccccc3)C2)c1
InChIInChI=1S/C23H21N3O4S/c1-26(19-12-6-3-7-13-19)31(28,29)20-14-8-11-18(15-20)24-23(27)21-16-22(30-25-21)17-9-4-2-5-10-17/h2-15,22H,16H2,1H3,(H,24,27)
InChIKeyFSDQSIHUSJKQPX-UHFFFAOYSA-N
XLogP3.97
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2H-benzotriazole-5-carboxamide
CID 25325336
N-[3-[methyl(phenyl)sulfamoyl]phenyl]thiophene-2-carboxamide
CID 17396939
3-methyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]thiophene-2-carboxamide
CID 25436428
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 5017657
N-(3-hydroxyphenyl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 78783436
N-[3-[methyl(phenyl)sulfamoyl]phenyl]pyrrolidine-3-carboxamide
CID 119676613
3-(2,2-dimethylpropanoylamino)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 35186261
2-(N-methylanilino)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 8689679
5-phenyl-N-pyridin-2-yl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 167954246
5-bromo-2-chloro-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 26896379
3-amino-N-[3-[methyl(phenyl)sulfamoyl]phenyl]cyclopentane-1-carboxamide
CID 119676593
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide
CID 3988955

Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl(phenyl)sulfamoyl]phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-[methyl(phenyl)sulfamoyl]phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide (CID 55865249) is N-[3-[methyl(phenyl)sulfamoyl]phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-[methyl(phenyl)sulfamoyl]phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-[methyl(phenyl)sulfamoyl]phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide is CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)C2=NOC(c3ccccc3)C2)c1.
What is the InChIKey of N-[3-[methyl(phenyl)sulfamoyl]phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The InChIKey is FSDQSIHUSJKQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4S/c1-26(19-12-6-3-7-13-19)31(28,29)20-14-8-11-18(15-20)24-23(27)21-16-22(30-25-21)17-9-4-2-5-10-17/h2-15,22H,16H2,1H3,(H,24,27).
What are the key properties of N-[3-[methyl(phenyl)sulfamoyl]phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide has a molecular weight of 435.51 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl(phenyl)sulfamoyl]phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 55865249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).