1-ethyl-5-[4-[(4-methoxybenzoyl)amino]-2-(propan-2-ylsulfamoyl)phenoxy]-4-methylpyrazole-3-carboxylic acid

C24H28N4O7S — CID 83276391

IUPAC1-ethyl-5-[4-[(4-methoxybenzoyl)amino]-2-(propan-2-ylsulfamoyl)phenoxy]-4-methylpyrazole-3-carboxylic acid
SMILESCCn1nc(C(=O)O)c(C)c1Oc1ccc(NC(=O)c2ccc(OC)cc2)cc1S(=O)(=O)NC(C)C
InChIInChI=1S/C24H28N4O7S/c1-6-28-23(15(4)21(26-28)24(30)31)35-19-12-9-17(13-20(19)36(32,33)27-14(2)3)25-22(29)16-7-10-18(34-5)11-8-16/h7-14,27H,6H2,1-5H3,(H,25,29)(H,30,31)
InChIKeyIIOQZKFJKCFWGV-UHFFFAOYSA-N
MW516.58 g/mol
LogP3.65
Rot. Bonds10

About 1-ethyl-5-[4-[(4-methoxybenzoyl)amino]-2-(propan-2-ylsulfamoyl)phenoxy]-4-methylpyrazole-3-carboxylic acid

1-ethyl-5-[4-[(4-methoxybenzoyl)amino]-2-(propan-2-ylsulfamoyl)phenoxy]-4-methylpyrazole-3-carboxylic acid (PubChem CID 83276391) has the molecular formula C24H28N4O7S and a molecular weight of 516.58 g/mol. Its IUPAC name is 1-ethyl-5-[4-[(4-methoxybenzoyl)amino]-2-(propan-2-ylsulfamoyl)phenoxy]-4-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-5-[4-[(4-methoxybenzoyl)amino]-2-(propan-2-ylsulfamoyl)phenoxy]-4-methylpyrazole-3-carboxylic acid
PubChem CID83276391
Molecular FormulaC24H28N4O7S
Molecular Weight516.58 g/mol
Exact Mass516.17
IUPAC Name1-ethyl-5-[4-[(4-methoxybenzoyl)amino]-2-(propan-2-ylsulfamoyl)phenoxy]-4-methylpyrazole-3-carboxylic acid
SMILESCCn1nc(C(=O)O)c(C)c1Oc1ccc(NC(=O)c2ccc(OC)cc2)cc1S(=O)(=O)NC(C)C
InChIInChI=1S/C24H28N4O7S/c1-6-28-23(15(4)21(26-28)24(30)31)35-19-12-9-17(13-20(19)36(32,33)27-14(2)3)25-22(29)16-7-10-18(34-5)11-8-16/h7-14,27H,6H2,1-5H3,(H,25,29)(H,30,31)
InChIKeyIIOQZKFJKCFWGV-UHFFFAOYSA-N
XLogP3.65
TPSA148.85 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.58
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

5-[2-[[(2R)-butan-2-yl]sulfamoyl]-4-[(4-methoxybenzoyl)amino]phenoxy]-1-(4-fluorophenyl)-4-methylpyrazole-3-carboxylic acid
CID 98439890
5-[2-[[(2S)-butan-2-yl]sulfamoyl]-4-[(4-methoxybenzoyl)amino]phenoxy]-1-(4-fluorophenyl)-4-methylpyrazole-3-carboxylic acid
CID 98439891
5-[2-[[(2S)-butan-2-yl]sulfamoyl]-4-[(4-fluorobenzoyl)amino]phenoxy]-1-(4-fluorophenyl)-4-methylpyrazole-3-carboxylic acid
CID 98444597
5-[2-[[(2S)-butan-2-yl]sulfamoyl]-4-(furan-2-carbonylamino)phenoxy]-1-(4-methoxyphenyl)-4-methylpyrazole-3-carboxylic acid
CID 98439895
5-[2-(furan-2-ylmethylsulfamoyl)-4-[(4-methoxybenzoyl)amino]phenoxy]-1-(4-methoxyphenyl)-4-methylpyrazole-3-carboxylic acid
CID 91635559
1-(2-ethylphenyl)-4-methyl-5-[4-(2-methylpropanoylamino)-2-(propan-2-ylsulfamoyl)phenoxy]pyrazole-3-carboxylic acid
CID 91633379
5-[2-[[(2R)-butan-2-yl]sulfamoyl]-4-[(2-methoxybenzoyl)amino]phenoxy]-4-methyl-1-propan-2-ylpyrazole-3-carboxylic acid
CID 98441862
4-methyl-5-[4-(2-methylpropanoylamino)-2-(propan-2-ylsulfamoyl)phenoxy]-1-phenylpyrazole-3-carboxylic acid
CID 83286124
1-(2-ethylphenyl)-5-[4-[(4-methoxybenzoyl)amino]-2-morpholin-4-ylsulfonylphenoxy]-4-methylpyrazole-3-carboxylic acid
CID 83276773
5-[4-(cyclopentanecarbonylamino)-2-(propan-2-ylsulfamoyl)phenoxy]-1,4-dimethylpyrazole-3-carboxylic acid
CID 90488405
4-methyl-5-[4-[(2-methylbenzoyl)amino]-2-(propan-2-ylsulfamoyl)phenoxy]-1-(4-methylphenyl)pyrazole-3-carboxylic acid
CID 83272831
5-[2-[[(2S)-butan-2-yl]sulfamoyl]-4-[(2-methoxybenzoyl)amino]phenoxy]-4-methyl-1-(4-methylphenyl)pyrazole-3-carboxylic acid
CID 98440802

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-[4-[(4-methoxybenzoyl)amino]-2-(propan-2-ylsulfamoyl)phenoxy]-4-methylpyrazole-3-carboxylic acid?
The IUPAC name of 1-ethyl-5-[4-[(4-methoxybenzoyl)amino]-2-(propan-2-ylsulfamoyl)phenoxy]-4-methylpyrazole-3-carboxylic acid (CID 83276391) is 1-ethyl-5-[4-[(4-methoxybenzoyl)amino]-2-(propan-2-ylsulfamoyl)phenoxy]-4-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 1-ethyl-5-[4-[(4-methoxybenzoyl)amino]-2-(propan-2-ylsulfamoyl)phenoxy]-4-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 1-ethyl-5-[4-[(4-methoxybenzoyl)amino]-2-(propan-2-ylsulfamoyl)phenoxy]-4-methylpyrazole-3-carboxylic acid is CCn1nc(C(=O)O)c(C)c1Oc1ccc(NC(=O)c2ccc(OC)cc2)cc1S(=O)(=O)NC(C)C.
What is the InChIKey of 1-ethyl-5-[4-[(4-methoxybenzoyl)amino]-2-(propan-2-ylsulfamoyl)phenoxy]-4-methylpyrazole-3-carboxylic acid?
The InChIKey is IIOQZKFJKCFWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O7S/c1-6-28-23(15(4)21(26-28)24(30)31)35-19-12-9-17(13-20(19)36(32,33)27-14(2)3)25-22(29)16-7-10-18(34-5)11-8-16/h7-14,27H,6H2,1-5H3,(H,25,29)(H,30,31).
What are the key properties of 1-ethyl-5-[4-[(4-methoxybenzoyl)amino]-2-(propan-2-ylsulfamoyl)phenoxy]-4-methylpyrazole-3-carboxylic acid?
1-ethyl-5-[4-[(4-methoxybenzoyl)amino]-2-(propan-2-ylsulfamoyl)phenoxy]-4-methylpyrazole-3-carboxylic acid has a molecular weight of 516.58 g/mol, XLogP of 3.65, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-[4-[(4-methoxybenzoyl)amino]-2-(propan-2-ylsulfamoyl)phenoxy]-4-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 83276391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).