4-[(2-methoxyphenyl)sulfamoyl]-N-(1-pyrazol-1-ylpropan-2-yl)benzamide

C20H22N4O4S — CID 43064966

IUPAC4-[(2-methoxyphenyl)sulfamoyl]-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(C(=O)NC(C)Cn2cccn2)cc1
InChIInChI=1S/C20H22N4O4S/c1-15(14-24-13-5-12-21-24)22-20(25)16-8-10-17(11-9-16)29(26,27)23-18-6-3-4-7-19(18)28-2/h3-13,15,23H,14H2,1-2H3,(H,22,25)
InChIKeyJDUFLVCXHICUTM-UHFFFAOYSA-N
MW414.49 g/mol
LogP2.51
Rot. Bonds8

About 4-[(2-methoxyphenyl)sulfamoyl]-N-(1-pyrazol-1-ylpropan-2-yl)benzamide

4-[(2-methoxyphenyl)sulfamoyl]-N-(1-pyrazol-1-ylpropan-2-yl)benzamide (PubChem CID 43064966) has the molecular formula C20H22N4O4S and a molecular weight of 414.49 g/mol. Its IUPAC name is 4-[(2-methoxyphenyl)sulfamoyl]-N-(1-pyrazol-1-ylpropan-2-yl)benzamide.

Molecular Properties

Compound Name4-[(2-methoxyphenyl)sulfamoyl]-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
PubChem CID43064966
Molecular FormulaC20H22N4O4S
Molecular Weight414.49 g/mol
Exact Mass414.14
IUPAC Name4-[(2-methoxyphenyl)sulfamoyl]-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(C(=O)NC(C)Cn2cccn2)cc1
InChIInChI=1S/C20H22N4O4S/c1-15(14-24-13-5-12-21-24)22-20(25)16-8-10-17(11-9-16)29(26,27)23-18-6-3-4-7-19(18)28-2/h3-13,15,23H,14H2,1-2H3,(H,22,25)
InChIKeyJDUFLVCXHICUTM-UHFFFAOYSA-N
XLogP2.51
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2-methoxyphenyl)sulfamoyl]-N-[(1S)-1-phenylethyl]benzamide
CID 2687763
3-ethoxy-4-methoxy-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]benzamide
CID 38607050
4-[(2-methoxyphenyl)sulfamoyl]-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120832379
4-[(2-methoxyphenyl)sulfamoyl]-N-(4-pyrazol-1-ylphenyl)benzamide
CID 39463274
4-[(2-methoxyphenyl)sulfamoyl]-N-(1-thiophen-2-ylethyl)benzamide
CID 43003138
4-(methylsulfonylmethyl)-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]benzamide
CID 38607203
propan-2-yl 2-[[4-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]acetate
CID 56546673
4-(aminomethyl)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 43695373
methyl 2-[[4-(butan-2-ylcarbamoyl)phenyl]sulfonylamino]benzoate
CID 109059083
4-[(2-methoxyphenyl)sulfamoyl]-N-(3-propan-2-yloxypropyl)benzamide
CID 26861429
4-[(2-methoxyphenyl)sulfamoyl]-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 43062290
4-[(2,3-dimethylphenyl)sulfamoyl]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
CID 60518186

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxyphenyl)sulfamoyl]-N-(1-pyrazol-1-ylpropan-2-yl)benzamide?
The IUPAC name of 4-[(2-methoxyphenyl)sulfamoyl]-N-(1-pyrazol-1-ylpropan-2-yl)benzamide (CID 43064966) is 4-[(2-methoxyphenyl)sulfamoyl]-N-(1-pyrazol-1-ylpropan-2-yl)benzamide.
What is the SMILES notation for 4-[(2-methoxyphenyl)sulfamoyl]-N-(1-pyrazol-1-ylpropan-2-yl)benzamide?
The canonical SMILES for 4-[(2-methoxyphenyl)sulfamoyl]-N-(1-pyrazol-1-ylpropan-2-yl)benzamide is COc1ccccc1NS(=O)(=O)c1ccc(C(=O)NC(C)Cn2cccn2)cc1.
What is the InChIKey of 4-[(2-methoxyphenyl)sulfamoyl]-N-(1-pyrazol-1-ylpropan-2-yl)benzamide?
The InChIKey is JDUFLVCXHICUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S/c1-15(14-24-13-5-12-21-24)22-20(25)16-8-10-17(11-9-16)29(26,27)23-18-6-3-4-7-19(18)28-2/h3-13,15,23H,14H2,1-2H3,(H,22,25).
What are the key properties of 4-[(2-methoxyphenyl)sulfamoyl]-N-(1-pyrazol-1-ylpropan-2-yl)benzamide?
4-[(2-methoxyphenyl)sulfamoyl]-N-(1-pyrazol-1-ylpropan-2-yl)benzamide has a molecular weight of 414.49 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxyphenyl)sulfamoyl]-N-(1-pyrazol-1-ylpropan-2-yl)benzamide is sourced from PubChem (CID 43064966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).