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

C20H21N5O5S — CID 53115400

IUPACN-(4-carbamoylphenyl)-3-[(4-ethoxyphenyl)sulfamoyl]-5-methyl-1H-pyrazole-4-carboxamide
SMILESCCOc1ccc(NS(=O)(=O)c2n[nH]c(C)c2C(=O)Nc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C20H21N5O5S/c1-3-30-16-10-8-15(9-11-16)25-31(28,29)20-17(12(2)23-24-20)19(27)22-14-6-4-13(5-7-14)18(21)26/h4-11,25H,3H2,1-2H3,(H2,21,26)(H,22,27)(H,23,24)
InChIKeySIGBKYVHOPTJLS-UHFFFAOYSA-N
MW443.49 g/mol
LogP2.27
Rot. Bonds8

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

N-(4-carbamoylphenyl)-3-[(4-ethoxyphenyl)sulfamoyl]-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 53115400) has the molecular formula C20H21N5O5S and a molecular weight of 443.49 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-3-[(4-ethoxyphenyl)sulfamoyl]-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-3-[(4-ethoxyphenyl)sulfamoyl]-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID53115400
Molecular FormulaC20H21N5O5S
Molecular Weight443.49 g/mol
Exact Mass443.13
IUPAC NameN-(4-carbamoylphenyl)-3-[(4-ethoxyphenyl)sulfamoyl]-5-methyl-1H-pyrazole-4-carboxamide
SMILESCCOc1ccc(NS(=O)(=O)c2n[nH]c(C)c2C(=O)Nc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C20H21N5O5S/c1-3-30-16-10-8-15(9-11-16)25-31(28,29)20-17(12(2)23-24-20)19(27)22-14-6-4-13(5-7-14)18(21)26/h4-11,25H,3H2,1-2H3,(H2,21,26)(H,22,27)(H,23,24)
InChIKeySIGBKYVHOPTJLS-UHFFFAOYSA-N
XLogP2.27
TPSA156.27 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 ≤ 52.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4-ethoxyphenyl)sulfamoyl]-N-(2-methoxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 53115398
5-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide
CID 53115373
N-(4-carbamoylphenyl)-N'-(4-ethoxyphenyl)oxamide
CID 45001359
4-ethoxy-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 4948543
N-(2,4-dimethylphenyl)-3-[(4-methoxyphenyl)sulfamoyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 53115387
N-(4-acetamidophenyl)-5-[(4-ethoxyphenyl)sulfamoyl]-1H-pyrazole-3-carboxamide
CID 46297845
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-(2-methylpropoxy)benzamide
CID 4937097
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 4-ethoxybenzoate
CID 7751736
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 4-ethoxybenzoate
CID 7751738
ethyl N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamate
CID 17147479
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 19062515
4-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide
CID 26537872

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-3-[(4-ethoxyphenyl)sulfamoyl]-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(4-carbamoylphenyl)-3-[(4-ethoxyphenyl)sulfamoyl]-5-methyl-1H-pyrazole-4-carboxamide (CID 53115400) is N-(4-carbamoylphenyl)-3-[(4-ethoxyphenyl)sulfamoyl]-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-3-[(4-ethoxyphenyl)sulfamoyl]-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(4-carbamoylphenyl)-3-[(4-ethoxyphenyl)sulfamoyl]-5-methyl-1H-pyrazole-4-carboxamide is CCOc1ccc(NS(=O)(=O)c2n[nH]c(C)c2C(=O)Nc2ccc(C(N)=O)cc2)cc1.
What is the InChIKey of N-(4-carbamoylphenyl)-3-[(4-ethoxyphenyl)sulfamoyl]-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is SIGBKYVHOPTJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O5S/c1-3-30-16-10-8-15(9-11-16)25-31(28,29)20-17(12(2)23-24-20)19(27)22-14-6-4-13(5-7-14)18(21)26/h4-11,25H,3H2,1-2H3,(H2,21,26)(H,22,27)(H,23,24).
What are the key properties of N-(4-carbamoylphenyl)-3-[(4-ethoxyphenyl)sulfamoyl]-5-methyl-1H-pyrazole-4-carboxamide?
N-(4-carbamoylphenyl)-3-[(4-ethoxyphenyl)sulfamoyl]-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 443.49 g/mol, XLogP of 2.27, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-3-[(4-ethoxyphenyl)sulfamoyl]-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 53115400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).