5-[(4-ethoxyphenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]-1H-pyrazole-4-carboxamide

C20H22N4O4S — CID 171146148

IUPAC5-[(4-ethoxyphenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]-1H-pyrazole-4-carboxamide
SMILESCCOc1ccc(NS(=O)(=O)c2[nH]ncc2C(=O)NCc2ccc(C)cc2)cc1
InChIInChI=1S/C20H22N4O4S/c1-3-28-17-10-8-16(9-11-17)24-29(26,27)20-18(13-22-23-20)19(25)21-12-15-6-4-14(2)5-7-15/h4-11,13,24H,3,12H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyXNBACGIEKIIZHD-UHFFFAOYSA-N
MW414.49 g/mol
LogP2.85
Rot. Bonds8

About 5-[(4-ethoxyphenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]-1H-pyrazole-4-carboxamide

5-[(4-ethoxyphenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]-1H-pyrazole-4-carboxamide (PubChem CID 171146148) has the molecular formula C20H22N4O4S and a molecular weight of 414.49 g/mol. Its IUPAC name is 5-[(4-ethoxyphenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[(4-ethoxyphenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]-1H-pyrazole-4-carboxamide
PubChem CID171146148
Molecular FormulaC20H22N4O4S
Molecular Weight414.49 g/mol
Exact Mass414.14
IUPAC Name5-[(4-ethoxyphenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]-1H-pyrazole-4-carboxamide
SMILESCCOc1ccc(NS(=O)(=O)c2[nH]ncc2C(=O)NCc2ccc(C)cc2)cc1
InChIInChI=1S/C20H22N4O4S/c1-3-28-17-10-8-16(9-11-17)24-29(26,27)20-18(13-22-23-20)19(25)21-12-15-6-4-14(2)5-7-15/h4-11,13,24H,3,12H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyXNBACGIEKIIZHD-UHFFFAOYSA-N
XLogP2.85
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-ethylphenyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
CID 53115660
N-[(4-ethoxyphenyl)methyl]-5-(4-ethylphenyl)-1H-pyrazole-4-carboxamide
CID 71824423
2-chloro-N-[(4-ethoxyphenyl)methyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 92671640
5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 54934211
N-[(3-chlorophenyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
CID 53115668
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 3943831
N-[(2-fluorophenyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
CID 53115664
N-[2-(4-chlorophenyl)ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
CID 53115672
ethyl 5-[(4-methylphenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylate
CID 171146060
6-(4-ethoxyanilino)-N-[(4-methylphenyl)methyl]pyridazine-3-carboxamide
CID 109118657
4-N-(4-ethoxyphenyl)-1-N-[(4-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046981
5-[(4-fluorophenyl)sulfamoyl]-N-methyl-1H-pyrazole-4-carboxamide
CID 53115687

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethoxyphenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-[(4-ethoxyphenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]-1H-pyrazole-4-carboxamide (CID 171146148) is 5-[(4-ethoxyphenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-[(4-ethoxyphenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-[(4-ethoxyphenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]-1H-pyrazole-4-carboxamide is CCOc1ccc(NS(=O)(=O)c2[nH]ncc2C(=O)NCc2ccc(C)cc2)cc1.
What is the InChIKey of 5-[(4-ethoxyphenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is XNBACGIEKIIZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S/c1-3-28-17-10-8-16(9-11-17)24-29(26,27)20-18(13-22-23-20)19(25)21-12-15-6-4-14(2)5-7-15/h4-11,13,24H,3,12H2,1-2H3,(H,21,25)(H,22,23).
What are the key properties of 5-[(4-ethoxyphenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]-1H-pyrazole-4-carboxamide?
5-[(4-ethoxyphenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 414.49 g/mol, XLogP of 2.85, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethoxyphenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 171146148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).