3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-(4-ethoxyphenyl)benzamide

C26H26N4O5S — CID 2333833

IUPAC3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-(4-ethoxyphenyl)benzamide
SMILESCCOc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c2)cc1
InChIInChI=1S/C26H26N4O5S/c1-4-35-22-15-13-20(14-16-22)27-25(31)19-9-8-12-23(17-19)36(33,34)28-24-18(2)29(3)30(26(24)32)21-10-6-5-7-11-21/h5-17,28H,4H2,1-3H3,(H,27,31)
InChIKeySCVXOARZGZVIQP-UHFFFAOYSA-N
MW506.58 g/mol
LogP3.94
Rot. Bonds8

About 3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-(4-ethoxyphenyl)benzamide

3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-(4-ethoxyphenyl)benzamide (PubChem CID 2333833) has the molecular formula C26H26N4O5S and a molecular weight of 506.58 g/mol. Its IUPAC name is 3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-(4-ethoxyphenyl)benzamide.

Molecular Properties

Compound Name3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-(4-ethoxyphenyl)benzamide
PubChem CID2333833
Molecular FormulaC26H26N4O5S
Molecular Weight506.58 g/mol
Exact Mass506.16
IUPAC Name3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-(4-ethoxyphenyl)benzamide
SMILESCCOc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c2)cc1
InChIInChI=1S/C26H26N4O5S/c1-4-35-22-15-13-20(14-16-22)27-25(31)19-9-8-12-23(17-19)36(33,34)28-24-18(2)29(3)30(26(24)32)21-10-6-5-7-11-21/h5-17,28H,4H2,1-3H3,(H,27,31)
InChIKeySCVXOARZGZVIQP-UHFFFAOYSA-N
XLogP3.94
TPSA111.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.58
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]benzamide
CID 3368355
4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-phenylbenzamide
CID 24643280
N-[2,5-bis(trifluoromethyl)phenyl]-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]benzamide
CID 2334156
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-ethoxy-3-methylbenzenesulfonamide
CID 39823950
N-(2-anilino-2-oxoethyl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 55958800
[2-(3-bromophenyl)-2-oxoethyl] 3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]benzoate
CID 25046538
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methylsulfonylbenzenesulfonamide
CID 16644049
3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylsulfamoyl]-N-(4-iodophenyl)benzamide
CID 42908761
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-ethoxy-3-methoxybenzamide
CID 26499954
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 21924
3-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methyl-2-pyridinyl)benzamide
CID 35032875
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-ethoxy-4-propoxybenzamide
CID 26909003

Frequently Asked Questions

What is the IUPAC name of 3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-(4-ethoxyphenyl)benzamide?
The IUPAC name of 3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-(4-ethoxyphenyl)benzamide (CID 2333833) is 3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-(4-ethoxyphenyl)benzamide.
What is the SMILES notation for 3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-(4-ethoxyphenyl)benzamide?
The canonical SMILES for 3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-(4-ethoxyphenyl)benzamide is CCOc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c2)cc1.
What is the InChIKey of 3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-(4-ethoxyphenyl)benzamide?
The InChIKey is SCVXOARZGZVIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O5S/c1-4-35-22-15-13-20(14-16-22)27-25(31)19-9-8-12-23(17-19)36(33,34)28-24-18(2)29(3)30(26(24)32)21-10-6-5-7-11-21/h5-17,28H,4H2,1-3H3,(H,27,31).
What are the key properties of 3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-(4-ethoxyphenyl)benzamide?
3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-(4-ethoxyphenyl)benzamide has a molecular weight of 506.58 g/mol, XLogP of 3.94, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-(4-ethoxyphenyl)benzamide is sourced from PubChem (CID 2333833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).