2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide

C26H26N4O4S — CID 55968651

IUPAC2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3cccc(OCCn4cccn4)c3)c2)c1
InChIInChI=1S/C26H26N4O4S/c1-19-6-3-8-22(16-19)29-35(32,33)24-11-10-20(2)25(18-24)26(31)28-21-7-4-9-23(17-21)34-15-14-30-13-5-12-27-30/h3-13,16-18,29H,14-15H2,1-2H3,(H,28,31)
InChIKeyPHVFWASGRQVAMG-UHFFFAOYSA-N
MW490.59 g/mol
LogP4.63
Rot. Bonds9

About 2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide

2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide (PubChem CID 55968651) has the molecular formula C26H26N4O4S and a molecular weight of 490.59 g/mol. Its IUPAC name is 2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide.

Molecular Properties

Compound Name2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide
PubChem CID55968651
Molecular FormulaC26H26N4O4S
Molecular Weight490.59 g/mol
Exact Mass490.17
IUPAC Name2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3cccc(OCCn4cccn4)c3)c2)c1
InChIInChI=1S/C26H26N4O4S/c1-19-6-3-8-22(16-19)29-35(32,33)24-11-10-20(2)25(18-24)26(31)28-21-7-4-9-23(17-21)34-15-14-30-13-5-12-27-30/h3-13,16-18,29H,14-15H2,1-2H3,(H,28,31)
InChIKeyPHVFWASGRQVAMG-UHFFFAOYSA-N
XLogP4.63
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.59
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-5-(propan-2-ylsulfamoyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide
CID 55881225
methyl 2-hydroxy-5-[[3-(2-pyrazol-1-ylethoxy)phenyl]sulfamoyl]benzoate
CID 55900967
2-methyl-5-methylsulfonyl-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]benzamide
CID 55882008
1-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrazole-4-sulfonamide
CID 87027340
5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-(3-methylphenyl)benzamide
CID 9341864
2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-quinolin-6-ylbenzamide
CID 60556006
1-[(2,4-dimethylphenyl)methyl]-3-[3-(2-pyrazol-1-ylethoxy)phenyl]urea
CID 55836723
2-methyl-N-(3-methylphenyl)-5-(methylsulfamoyl)benzamide
CID 51297733
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 134031360
1-(3-methoxyphenyl)-2,5-dimethyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrrole-3-carboxamide
CID 55967503
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[3-(2-pyrazol-1-ylethoxy)phenyl]propanamide
CID 55968780
N-methoxy-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 30796988

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide?
The IUPAC name of 2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide (CID 55968651) is 2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide.
What is the SMILES notation for 2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide?
The canonical SMILES for 2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide is Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3cccc(OCCn4cccn4)c3)c2)c1.
What is the InChIKey of 2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide?
The InChIKey is PHVFWASGRQVAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O4S/c1-19-6-3-8-22(16-19)29-35(32,33)24-11-10-20(2)25(18-24)26(31)28-21-7-4-9-23(17-21)34-15-14-30-13-5-12-27-30/h3-13,16-18,29H,14-15H2,1-2H3,(H,28,31).
What are the key properties of 2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide?
2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide has a molecular weight of 490.59 g/mol, XLogP of 4.63, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide is sourced from PubChem (CID 55968651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).