N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(2-phenylethoxy)benzamide

C29H28N2O4S — CID 19628059

IUPACN-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(2-phenylethoxy)benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3OCCc3ccccc3)cc2)cc1C
InChIInChI=1S/C29H28N2O4S/c1-21-12-13-25(20-22(21)2)31-36(33,34)26-16-14-24(15-17-26)30-29(32)27-10-6-7-11-28(27)35-19-18-23-8-4-3-5-9-23/h3-17,20,31H,18-19H2,1-2H3,(H,30,32)
InChIKeyJQCMXJJCKHKVGL-UHFFFAOYSA-N
MW500.62 g/mol
LogP5.98
Rot. Bonds9

About N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(2-phenylethoxy)benzamide

N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(2-phenylethoxy)benzamide (PubChem CID 19628059) has the molecular formula C29H28N2O4S and a molecular weight of 500.62 g/mol. Its IUPAC name is N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(2-phenylethoxy)benzamide.

Molecular Properties

Compound NameN-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(2-phenylethoxy)benzamide
PubChem CID19628059
Molecular FormulaC29H28N2O4S
Molecular Weight500.62 g/mol
Exact Mass500.18
IUPAC NameN-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(2-phenylethoxy)benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3OCCc3ccccc3)cc2)cc1C
InChIInChI=1S/C29H28N2O4S/c1-21-12-13-25(20-22(21)2)31-36(33,34)26-16-14-24(15-17-26)30-29(32)27-10-6-7-11-28(27)35-19-18-23-8-4-3-5-9-23/h3-17,20,31H,18-19H2,1-2H3,(H,30,32)
InChIKeyJQCMXJJCKHKVGL-UHFFFAOYSA-N
XLogP5.98
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.62
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(2-phenoxyethoxy)benzamide
CID 4954263
2-(2-phenylethoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 19628144
5-bromo-N-[[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-2-(2-phenylethoxy)benzamide
CID 17046578
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(2-methoxyethoxy)benzamide
CID 17355406
2-(2-ethoxyethoxy)-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 17122669
N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-(2-phenoxyethoxy)benzamide
CID 4954338
2-(2-methylpropoxy)-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 4945295
2-butoxy-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]benzamide
CID 4940984
N-(2,5-dimethylphenyl)-2-(2-phenylethoxy)benzamide
CID 19628089
N-(4-butoxyphenyl)-2-(2-phenylethoxy)benzamide
CID 19628186
N-(3,4-dimethylphenyl)-2-[[2-(2-methoxyethoxy)benzoyl]amino]benzamide
CID 17355422
N-(3,4-dimethylphenyl)-2-pentoxybenzamide
CID 4946489

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(2-phenylethoxy)benzamide?
The IUPAC name of N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(2-phenylethoxy)benzamide (CID 19628059) is N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(2-phenylethoxy)benzamide.
What is the SMILES notation for N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(2-phenylethoxy)benzamide?
The canonical SMILES for N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(2-phenylethoxy)benzamide is Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3OCCc3ccccc3)cc2)cc1C.
What is the InChIKey of N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(2-phenylethoxy)benzamide?
The InChIKey is JQCMXJJCKHKVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2O4S/c1-21-12-13-25(20-22(21)2)31-36(33,34)26-16-14-24(15-17-26)30-29(32)27-10-6-7-11-28(27)35-19-18-23-8-4-3-5-9-23/h3-17,20,31H,18-19H2,1-2H3,(H,30,32).
What are the key properties of N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(2-phenylethoxy)benzamide?
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(2-phenylethoxy)benzamide has a molecular weight of 500.62 g/mol, XLogP of 5.98, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(2-phenylethoxy)benzamide is sourced from PubChem (CID 19628059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).