4-methyl-3-[(3-methylphenyl)sulfamoyl]-N-(3-pyrazol-1-ylpropyl)benzamide

C21H24N4O3S — CID 37393533

IUPAC4-methyl-3-[(3-methylphenyl)sulfamoyl]-N-(3-pyrazol-1-ylpropyl)benzamide
SMILESCc1cccc(NS(=O)(=O)c2cc(C(=O)NCCCn3cccn3)ccc2C)c1
InChIInChI=1S/C21H24N4O3S/c1-16-6-3-7-19(14-16)24-29(27,28)20-15-18(9-8-17(20)2)21(26)22-10-4-12-25-13-5-11-23-25/h3,5-9,11,13-15,24H,4,10,12H2,1-2H3,(H,22,26)
InChIKeyYCBVNVCIGALPSH-UHFFFAOYSA-N
MW412.52 g/mol
LogP3.12
Rot. Bonds8

About 4-methyl-3-[(3-methylphenyl)sulfamoyl]-N-(3-pyrazol-1-ylpropyl)benzamide

4-methyl-3-[(3-methylphenyl)sulfamoyl]-N-(3-pyrazol-1-ylpropyl)benzamide (PubChem CID 37393533) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is 4-methyl-3-[(3-methylphenyl)sulfamoyl]-N-(3-pyrazol-1-ylpropyl)benzamide.

Molecular Properties

Compound Name4-methyl-3-[(3-methylphenyl)sulfamoyl]-N-(3-pyrazol-1-ylpropyl)benzamide
PubChem CID37393533
Molecular FormulaC21H24N4O3S
Molecular Weight412.52 g/mol
Exact Mass412.16
IUPAC Name4-methyl-3-[(3-methylphenyl)sulfamoyl]-N-(3-pyrazol-1-ylpropyl)benzamide
SMILESCc1cccc(NS(=O)(=O)c2cc(C(=O)NCCCn3cccn3)ccc2C)c1
InChIInChI=1S/C21H24N4O3S/c1-16-6-3-7-19(14-16)24-29(27,28)20-15-18(9-8-17(20)2)21(26)22-10-4-12-25-13-5-11-23-25/h3,5-9,11,13-15,24H,4,10,12H2,1-2H3,(H,22,26)
InChIKeyYCBVNVCIGALPSH-UHFFFAOYSA-N
XLogP3.12
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-(3-pyrazol-1-ylpropyl)benzamide
CID 19332230
N-[2-(ethylamino)ethyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride
CID 119506523
3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methyl-N-(3-pyrazol-1-ylpropyl)benzamide
CID 55596967
N-(2-amino-2-methylpropyl)-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride
CID 119627677
4-methyl-3-(phenylsulfamoyl)-N-propylbenzamide
CID 126412719
N-(2,6-difluorophenyl)-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 3249145
3-[(3-chlorophenyl)sulfamoyl]-4-methyl-N-[3-(methylamino)propyl]benzamide
CID 119433918
ethyl 4-[[4-methyl-3-[(3-methylphenyl)sulfamoyl]benzoyl]amino]benzoate
CID 3610783
4-[(3-methylphenyl)sulfamoyl]-N-pentylbenzamide
CID 109061330
4-methyl-3-[(3-methylphenyl)sulfamoyl]-N-(1-phenylpropyl)benzamide
CID 132947921
ethane;4-methyl-N-(2-methylphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 142804944
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119503479

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(3-methylphenyl)sulfamoyl]-N-(3-pyrazol-1-ylpropyl)benzamide?
The IUPAC name of 4-methyl-3-[(3-methylphenyl)sulfamoyl]-N-(3-pyrazol-1-ylpropyl)benzamide (CID 37393533) is 4-methyl-3-[(3-methylphenyl)sulfamoyl]-N-(3-pyrazol-1-ylpropyl)benzamide.
What is the SMILES notation for 4-methyl-3-[(3-methylphenyl)sulfamoyl]-N-(3-pyrazol-1-ylpropyl)benzamide?
The canonical SMILES for 4-methyl-3-[(3-methylphenyl)sulfamoyl]-N-(3-pyrazol-1-ylpropyl)benzamide is Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCCCn3cccn3)ccc2C)c1.
What is the InChIKey of 4-methyl-3-[(3-methylphenyl)sulfamoyl]-N-(3-pyrazol-1-ylpropyl)benzamide?
The InChIKey is YCBVNVCIGALPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S/c1-16-6-3-7-19(14-16)24-29(27,28)20-15-18(9-8-17(20)2)21(26)22-10-4-12-25-13-5-11-23-25/h3,5-9,11,13-15,24H,4,10,12H2,1-2H3,(H,22,26).
What are the key properties of 4-methyl-3-[(3-methylphenyl)sulfamoyl]-N-(3-pyrazol-1-ylpropyl)benzamide?
4-methyl-3-[(3-methylphenyl)sulfamoyl]-N-(3-pyrazol-1-ylpropyl)benzamide has a molecular weight of 412.52 g/mol, XLogP of 3.12, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(3-methylphenyl)sulfamoyl]-N-(3-pyrazol-1-ylpropyl)benzamide is sourced from PubChem (CID 37393533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).