N-(4-acetamidophenyl)-5-[(4-ethoxyphenyl)sulfamoyl]-1H-pyrazole-3-carboxamide

C20H21N5O5S — CID 46297845

IUPACN-(4-acetamidophenyl)-5-[(4-ethoxyphenyl)sulfamoyl]-1H-pyrazole-3-carboxamide
SMILESCCOc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(NC(C)=O)cc3)n[nH]2)cc1
InChIInChI=1S/C20H21N5O5S/c1-3-30-17-10-8-16(9-11-17)25-31(28,29)19-12-18(23-24-19)20(27)22-15-6-4-14(5-7-15)21-13(2)26/h4-12,25H,3H2,1-2H3,(H,21,26)(H,22,27)(H,23,24)
InChIKeyQMRJKESNOIQABQ-UHFFFAOYSA-N
MW443.49 g/mol
LogP2.82
Rot. Bonds8

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

N-(4-acetamidophenyl)-5-[(4-ethoxyphenyl)sulfamoyl]-1H-pyrazole-3-carboxamide (PubChem CID 46297845) has the molecular formula C20H21N5O5S and a molecular weight of 443.49 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-5-[(4-ethoxyphenyl)sulfamoyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-5-[(4-ethoxyphenyl)sulfamoyl]-1H-pyrazole-3-carboxamide
PubChem CID46297845
Molecular FormulaC20H21N5O5S
Molecular Weight443.49 g/mol
Exact Mass443.13
IUPAC NameN-(4-acetamidophenyl)-5-[(4-ethoxyphenyl)sulfamoyl]-1H-pyrazole-3-carboxamide
SMILESCCOc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(NC(C)=O)cc3)n[nH]2)cc1
InChIInChI=1S/C20H21N5O5S/c1-3-30-17-10-8-16(9-11-17)25-31(28,29)19-12-18(23-24-19)20(27)22-15-6-4-14(5-7-15)21-13(2)26/h4-12,25H,3H2,1-2H3,(H,21,26)(H,22,27)(H,23,24)
InChIKeyQMRJKESNOIQABQ-UHFFFAOYSA-N
XLogP2.82
TPSA142.28 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.49
LogP ≤ 52.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(4-ethoxyphenyl)sulfamoyl]-N-(3-fluorophenyl)-1H-pyrazole-3-carboxamide
CID 46297846
3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(4-ethoxyphenyl)-1H-pyrazole-5-sulfonamide
CID 46297865
N-(4-ethoxyphenyl)-3-(4-phenylpiperazine-1-carbonyl)-1H-pyrazole-5-sulfonamide
CID 46297855
N-(4-ethoxyphenyl)-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1H-pyrazole-5-sulfonamide
CID 46297860
N-(4-carbamoylphenyl)-3-[(4-ethoxyphenyl)sulfamoyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 53115400
3-(3,4-dichlorophenyl)-N-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19513551
4-ethoxy-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 4948543
2-chloro-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-5-nitrobenzamide
CID 17147139
N-(4-ethoxyphenyl)-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 26561579
3-acetamido-N-(4-ethoxyphenyl)benzamide
CID 17396899
4-chloro-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-nitrobenzamide
CID 3381194
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 126395320

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-5-[(4-ethoxyphenyl)sulfamoyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-5-[(4-ethoxyphenyl)sulfamoyl]-1H-pyrazole-3-carboxamide (CID 46297845) is N-(4-acetamidophenyl)-5-[(4-ethoxyphenyl)sulfamoyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-5-[(4-ethoxyphenyl)sulfamoyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-5-[(4-ethoxyphenyl)sulfamoyl]-1H-pyrazole-3-carboxamide is CCOc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(NC(C)=O)cc3)n[nH]2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-5-[(4-ethoxyphenyl)sulfamoyl]-1H-pyrazole-3-carboxamide?
The InChIKey is QMRJKESNOIQABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O5S/c1-3-30-17-10-8-16(9-11-17)25-31(28,29)19-12-18(23-24-19)20(27)22-15-6-4-14(5-7-15)21-13(2)26/h4-12,25H,3H2,1-2H3,(H,21,26)(H,22,27)(H,23,24).
What are the key properties of N-(4-acetamidophenyl)-5-[(4-ethoxyphenyl)sulfamoyl]-1H-pyrazole-3-carboxamide?
N-(4-acetamidophenyl)-5-[(4-ethoxyphenyl)sulfamoyl]-1H-pyrazole-3-carboxamide has a molecular weight of 443.49 g/mol, XLogP of 2.82, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-5-[(4-ethoxyphenyl)sulfamoyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 46297845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).