3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]benzamide

C24H28N4O5S — CID 51957951

IUPAC3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)cc1S(=O)(=O)N(C)Cc1ccccc1
InChIInChI=1S/C24H28N4O5S/c1-27(15-18-7-4-3-5-8-18)34(30,31)23-13-19(10-11-22(23)32-2)24(29)26-20-14-25-28(16-20)17-21-9-6-12-33-21/h3-5,7-8,10-11,13-14,16,21H,6,9,12,15,17H2,1-2H3,(H,26,29)/t21-/m0/s1
InChIKeyHILCUJBDBBFTMC-NRFANRHFSA-N
MW484.58 g/mol
LogP3.14
Rot. Bonds9

About 3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]benzamide

3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]benzamide (PubChem CID 51957951) has the molecular formula C24H28N4O5S and a molecular weight of 484.58 g/mol. Its IUPAC name is 3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]benzamide
PubChem CID51957951
Molecular FormulaC24H28N4O5S
Molecular Weight484.58 g/mol
Exact Mass484.18
IUPAC Name3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)cc1S(=O)(=O)N(C)Cc1ccccc1
InChIInChI=1S/C24H28N4O5S/c1-27(15-18-7-4-3-5-8-18)34(30,31)23-13-19(10-11-22(23)32-2)24(29)26-20-14-25-28(16-20)17-21-9-6-12-33-21/h3-5,7-8,10-11,13-14,16,21H,6,9,12,15,17H2,1-2H3,(H,26,29)/t21-/m0/s1
InChIKeyHILCUJBDBBFTMC-NRFANRHFSA-N
XLogP3.14
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.58
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-4-methoxy-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzamide
CID 86999899
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]naphthalene-2-carboxamide
CID 165126942
N-(1-benzylpyrazol-4-yl)-3-(cyclopropylsulfamoyl)-4-methoxybenzamide
CID 55947712
3-methoxy-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide
CID 136524086
3,4,5-trimethoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzamide
CID 121145179
3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-(6-piperidin-1-yl-3-pyridinyl)benzamide
CID 55496293
1-[(4-methoxyphenyl)methyl]-1-methyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 136527849
3-(dimethylamino)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]benzamide
CID 129356187
3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzamide
CID 55489776
1-methoxy-1-methyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 75393767
(E)-3-(2-methoxyphenyl)-N-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]prop-2-enamide
CID 94801288
N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide
CID 129354398

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]benzamide?
The IUPAC name of 3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]benzamide (CID 51957951) is 3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]benzamide.
What is the SMILES notation for 3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]benzamide?
The canonical SMILES for 3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]benzamide is COc1ccc(C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)cc1S(=O)(=O)N(C)Cc1ccccc1.
What is the InChIKey of 3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]benzamide?
The InChIKey is HILCUJBDBBFTMC-NRFANRHFSA-N. The full InChI is InChI=1S/C24H28N4O5S/c1-27(15-18-7-4-3-5-8-18)34(30,31)23-13-19(10-11-22(23)32-2)24(29)26-20-14-25-28(16-20)17-21-9-6-12-33-21/h3-5,7-8,10-11,13-14,16,21H,6,9,12,15,17H2,1-2H3,(H,26,29)/t21-/m0/s1.
What are the key properties of 3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]benzamide?
3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]benzamide has a molecular weight of 484.58 g/mol, XLogP of 3.14, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 51957951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).