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

C29H25N5O5S — CID 166451358

IUPAC4-benzoyl-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-methyl-5-phenylpyrazole-3-carboxamide
SMILESCc1noc(NS(=O)(=O)c2ccc(NC(=O)c3nn(C)c(-c4ccccc4)c3C(=O)c3ccccc3)cc2)c1C
InChIInChI=1S/C29H25N5O5S/c1-18-19(2)32-39-29(18)33-40(37,38)23-16-14-22(15-17-23)30-28(36)25-24(27(35)21-12-8-5-9-13-21)26(34(3)31-25)20-10-6-4-7-11-20/h4-17,33H,1-3H3,(H,30,36)
InChIKeyMVCDQBPOZGSKFJ-UHFFFAOYSA-N
MW555.62 g/mol
LogP4.98
Rot. Bonds8

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

4-benzoyl-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-methyl-5-phenylpyrazole-3-carboxamide (PubChem CID 166451358) has the molecular formula C29H25N5O5S and a molecular weight of 555.62 g/mol. Its IUPAC name is 4-benzoyl-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-methyl-5-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-benzoyl-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-methyl-5-phenylpyrazole-3-carboxamide
PubChem CID166451358
Molecular FormulaC29H25N5O5S
Molecular Weight555.62 g/mol
Exact Mass555.16
IUPAC Name4-benzoyl-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-methyl-5-phenylpyrazole-3-carboxamide
SMILESCc1noc(NS(=O)(=O)c2ccc(NC(=O)c3nn(C)c(-c4ccccc4)c3C(=O)c3ccccc3)cc2)c1C
InChIInChI=1S/C29H25N5O5S/c1-18-19(2)32-39-29(18)33-40(37,38)23-16-14-22(15-17-23)30-28(36)25-24(27(35)21-12-8-5-9-13-21)26(34(3)31-25)20-10-6-4-7-11-20/h4-17,33H,1-3H3,(H,30,36)
InChIKeyMVCDQBPOZGSKFJ-UHFFFAOYSA-N
XLogP4.98
TPSA136.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.62
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-benzoyl-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-methyl-5-phenylpyrazole-3-carboxamide with MolForge

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Related Compounds

N-{4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl}-1-(4-methylphenyl)-4-oxo-1,4-dihydropyridazine-3-carboxamide
CID 16452810
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-methylsulfonylbenzamide
CID 57422276
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 2332893
N-{4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl}-1-(3-methylphenyl)-4-oxo-1,4-dihydropyridazine-3-carboxamide
CID 16447050
N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-[(2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide
CID 135400696
N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)-1-ethyl-5-methyl-1H-pyrazole-4-carboxamide
CID 4518274
N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)-1,3-dimethyl-1H-pyrazole-4-carboxamide
CID 5046522
4-benzoyl-1-methyl-5-phenyl-N-(4-sulfamoylphenyl)-1h-pyrazole-3-carboxamide
CID 166451312
ethyl 3-((4-(N-(3,4-dimethylisoxazol-5-yl)sulfamoyl)phenyl)carbamoyl)-1-methyl-5-phenyl-1h-pyrazole-4-carboxylate
CID 166451331
4-benzoyl-N-(4-(N-(3,4-dimethylisoxazol-5-yl)sulfamoyl)phenyl)-1,5-diphenyl-1h-pyrazole-3-carboxamide
CID 171662618
N-{4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl}-5-(3-fluoro-4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 16455707
N-({5-[(3,5-Dimethyl-1,2-oxazol-4-YL)sulfonyl]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-C]pyridin-3-YL}methyl)-4-fluoro-N-phenylbenzamide
CID 53019247

Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-methyl-5-phenylpyrazole-3-carboxamide?
The IUPAC name of 4-benzoyl-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-methyl-5-phenylpyrazole-3-carboxamide (CID 166451358) is 4-benzoyl-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-methyl-5-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 4-benzoyl-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-methyl-5-phenylpyrazole-3-carboxamide?
The canonical SMILES for 4-benzoyl-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-methyl-5-phenylpyrazole-3-carboxamide is Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3nn(C)c(-c4ccccc4)c3C(=O)c3ccccc3)cc2)c1C.
What is the InChIKey of 4-benzoyl-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-methyl-5-phenylpyrazole-3-carboxamide?
The InChIKey is MVCDQBPOZGSKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N5O5S/c1-18-19(2)32-39-29(18)33-40(37,38)23-16-14-22(15-17-23)30-28(36)25-24(27(35)21-12-8-5-9-13-21)26(34(3)31-25)20-10-6-4-7-11-20/h4-17,33H,1-3H3,(H,30,36).
What are the key properties of 4-benzoyl-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-methyl-5-phenylpyrazole-3-carboxamide?
4-benzoyl-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-methyl-5-phenylpyrazole-3-carboxamide has a molecular weight of 555.62 g/mol, XLogP of 4.98, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-methyl-5-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 166451358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).