N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-4-(pyrazol-1-ylmethyl)benzamide

C26H26N4O4S — CID 26045640

IUPACN-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-4-(pyrazol-1-ylmethyl)benzamide
SMILESCCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc(Cn4cccn4)cc3)ccc2C)cc1
InChIInChI=1S/C26H26N4O4S/c1-3-34-24-13-11-22(12-14-24)29-35(32,33)25-17-23(10-5-19(25)2)28-26(31)21-8-6-20(7-9-21)18-30-16-4-15-27-30/h4-17,29H,3,18H2,1-2H3,(H,28,31)
InChIKeyMAZSXHHZYFKTNQ-UHFFFAOYSA-N
MW490.59 g/mol
LogP4.69
Rot. Bonds9

About N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-4-(pyrazol-1-ylmethyl)benzamide

N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-4-(pyrazol-1-ylmethyl)benzamide (PubChem CID 26045640) has the molecular formula C26H26N4O4S and a molecular weight of 490.59 g/mol. Its IUPAC name is N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-4-(pyrazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-4-(pyrazol-1-ylmethyl)benzamide
PubChem CID26045640
Molecular FormulaC26H26N4O4S
Molecular Weight490.59 g/mol
Exact Mass490.17
IUPAC NameN-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-4-(pyrazol-1-ylmethyl)benzamide
SMILESCCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc(Cn4cccn4)cc3)ccc2C)cc1
InChIInChI=1S/C26H26N4O4S/c1-3-34-24-13-11-22(12-14-24)29-35(32,33)25-17-23(10-5-19(25)2)28-26(31)21-8-6-20(7-9-21)18-30-16-4-15-27-30/h4-17,29H,3,18H2,1-2H3,(H,28,31)
InChIKeyMAZSXHHZYFKTNQ-UHFFFAOYSA-N
XLogP4.69
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 ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 51121436
N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]thiophene-3-carboxamide
CID 30484505
N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 26852105
3-(diethylsulfamoyl)-4-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 55812362
N-[4-(2-hydroxyethoxy)phenyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 111116122
4-ethoxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 25403941
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-ethoxybenzamide
CID 3635933
N-methyl-4-[[4-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzamide
CID 55814374
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 42064323
N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-2,5-difluorobenzamide
CID 43030214
N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-3-methylbut-2-enamide
CID 30877349
N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 24648421

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-4-(pyrazol-1-ylmethyl)benzamide?
The IUPAC name of N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-4-(pyrazol-1-ylmethyl)benzamide (CID 26045640) is N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-4-(pyrazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-4-(pyrazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-4-(pyrazol-1-ylmethyl)benzamide is CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc(Cn4cccn4)cc3)ccc2C)cc1.
What is the InChIKey of N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-4-(pyrazol-1-ylmethyl)benzamide?
The InChIKey is MAZSXHHZYFKTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O4S/c1-3-34-24-13-11-22(12-14-24)29-35(32,33)25-17-23(10-5-19(25)2)28-26(31)21-8-6-20(7-9-21)18-30-16-4-15-27-30/h4-17,29H,3,18H2,1-2H3,(H,28,31).
What are the key properties of N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-4-(pyrazol-1-ylmethyl)benzamide?
N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-4-(pyrazol-1-ylmethyl)benzamide has a molecular weight of 490.59 g/mol, XLogP of 4.69, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-4-(pyrazol-1-ylmethyl)benzamide is sourced from PubChem (CID 26045640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).