3-[(4-ethoxyphenyl)sulfamoyl]-N-(2-methoxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide

C20H22N4O5S — CID 53115398

IUPAC3-[(4-ethoxyphenyl)sulfamoyl]-N-(2-methoxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCCOc1ccc(NS(=O)(=O)c2n[nH]c(C)c2C(=O)Nc2ccccc2OC)cc1
InChIInChI=1S/C20H22N4O5S/c1-4-29-15-11-9-14(10-12-15)24-30(26,27)20-18(13(2)22-23-20)19(25)21-16-7-5-6-8-17(16)28-3/h5-12,24H,4H2,1-3H3,(H,21,25)(H,22,23)
InChIKeyWXFZUZADXNGLEG-UHFFFAOYSA-N
MW430.49 g/mol
LogP3.18
Rot. Bonds8

About 3-[(4-ethoxyphenyl)sulfamoyl]-N-(2-methoxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide

3-[(4-ethoxyphenyl)sulfamoyl]-N-(2-methoxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 53115398) has the molecular formula C20H22N4O5S and a molecular weight of 430.49 g/mol. Its IUPAC name is 3-[(4-ethoxyphenyl)sulfamoyl]-N-(2-methoxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-[(4-ethoxyphenyl)sulfamoyl]-N-(2-methoxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID53115398
Molecular FormulaC20H22N4O5S
Molecular Weight430.49 g/mol
Exact Mass430.13
IUPAC Name3-[(4-ethoxyphenyl)sulfamoyl]-N-(2-methoxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCCOc1ccc(NS(=O)(=O)c2n[nH]c(C)c2C(=O)Nc2ccccc2OC)cc1
InChIInChI=1S/C20H22N4O5S/c1-4-29-15-11-9-14(10-12-15)24-30(26,27)20-18(13(2)22-23-20)19(25)21-16-7-5-6-8-17(16)28-3/h5-12,24H,4H2,1-3H3,(H,21,25)(H,22,23)
InChIKeyWXFZUZADXNGLEG-UHFFFAOYSA-N
XLogP3.18
TPSA122.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-carbamoylphenyl)-3-[(4-ethoxyphenyl)sulfamoyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 53115400
N-(2,4-dimethylphenyl)-3-[(4-methoxyphenyl)sulfamoyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 53115387
3-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46856755
N-[2-[(4-ethoxyphenyl)sulfamoyl]-3-methylphenyl]-2-methoxybenzamide
CID 2381921
4-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyphenyl)benzenesulfonamide
CID 22202817
N-(2-ethoxyphenyl)-2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]acetamide
CID 126393709
5-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide
CID 53115373
N-(4-ethoxyphenyl)-2-(2-methoxyanilino)acetamide
CID 9080558
2-(4-ethoxyanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337457
N-(2-methoxyphenyl)-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 7939173
2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(2-methoxyphenyl)acetamide
CID 126394237
4-N-(4-ethoxyphenyl)-2-N-(2-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109093012

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxyphenyl)sulfamoyl]-N-(2-methoxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-[(4-ethoxyphenyl)sulfamoyl]-N-(2-methoxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide (CID 53115398) is 3-[(4-ethoxyphenyl)sulfamoyl]-N-(2-methoxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-[(4-ethoxyphenyl)sulfamoyl]-N-(2-methoxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-[(4-ethoxyphenyl)sulfamoyl]-N-(2-methoxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide is CCOc1ccc(NS(=O)(=O)c2n[nH]c(C)c2C(=O)Nc2ccccc2OC)cc1.
What is the InChIKey of 3-[(4-ethoxyphenyl)sulfamoyl]-N-(2-methoxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is WXFZUZADXNGLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O5S/c1-4-29-15-11-9-14(10-12-15)24-30(26,27)20-18(13(2)22-23-20)19(25)21-16-7-5-6-8-17(16)28-3/h5-12,24H,4H2,1-3H3,(H,21,25)(H,22,23).
What are the key properties of 3-[(4-ethoxyphenyl)sulfamoyl]-N-(2-methoxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide?
3-[(4-ethoxyphenyl)sulfamoyl]-N-(2-methoxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 430.49 g/mol, XLogP of 3.18, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxyphenyl)sulfamoyl]-N-(2-methoxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 53115398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).