4-[(3,4-dimethylphenyl)sulfonylamino]-N-[4-(2-methoxyethoxy)phenyl]benzamide

C24H26N2O5S — CID 55658123

IUPAC4-[(3,4-dimethylphenyl)sulfonylamino]-N-[4-(2-methoxyethoxy)phenyl]benzamide
SMILESCOCCOc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)c(C)c3)cc2)cc1
InChIInChI=1S/C24H26N2O5S/c1-17-4-13-23(16-18(17)2)32(28,29)26-21-7-5-19(6-8-21)24(27)25-20-9-11-22(12-10-20)31-15-14-30-3/h4-13,16,26H,14-15H2,1-3H3,(H,25,27)
InChIKeyUHIUTXJOPCSNHV-UHFFFAOYSA-N
MW454.55 g/mol
LogP4.38
Rot. Bonds9

About 4-[(3,4-dimethylphenyl)sulfonylamino]-N-[4-(2-methoxyethoxy)phenyl]benzamide

4-[(3,4-dimethylphenyl)sulfonylamino]-N-[4-(2-methoxyethoxy)phenyl]benzamide (PubChem CID 55658123) has the molecular formula C24H26N2O5S and a molecular weight of 454.55 g/mol. Its IUPAC name is 4-[(3,4-dimethylphenyl)sulfonylamino]-N-[4-(2-methoxyethoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-[(3,4-dimethylphenyl)sulfonylamino]-N-[4-(2-methoxyethoxy)phenyl]benzamide
PubChem CID55658123
Molecular FormulaC24H26N2O5S
Molecular Weight454.55 g/mol
Exact Mass454.16
IUPAC Name4-[(3,4-dimethylphenyl)sulfonylamino]-N-[4-(2-methoxyethoxy)phenyl]benzamide
SMILESCOCCOc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)c(C)c3)cc2)cc1
InChIInChI=1S/C24H26N2O5S/c1-17-4-13-23(16-18(17)2)32(28,29)26-21-7-5-19(6-8-21)24(27)25-20-9-11-22(12-10-20)31-15-14-30-3/h4-13,16,26H,14-15H2,1-3H3,(H,25,27)
InChIKeyUHIUTXJOPCSNHV-UHFFFAOYSA-N
XLogP4.38
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 54.38
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

N-(3,4-dimethylphenyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 26593901
4-(2-methoxyethoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 17353518
4-(2-ethoxyethoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 17112535
4-(2-methoxyethoxy)-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 15943272
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(4-methoxyphenyl)benzamide
CID 17391179
N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-4-(2-methoxyethoxy)benzamide
CID 17353780
4-[(3,4-dimethylphenyl)sulfonylamino]-N-ethylbenzamide
CID 51163080
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 17222218
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]benzamide
CID 126415208
N-[4-(cyclohexylsulfamoyl)phenyl]-4-(2-methoxyethoxy)benzamide
CID 17353443
4-butan-2-yloxy-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]benzamide
CID 17141183
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 19062515

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethylphenyl)sulfonylamino]-N-[4-(2-methoxyethoxy)phenyl]benzamide?
The IUPAC name of 4-[(3,4-dimethylphenyl)sulfonylamino]-N-[4-(2-methoxyethoxy)phenyl]benzamide (CID 55658123) is 4-[(3,4-dimethylphenyl)sulfonylamino]-N-[4-(2-methoxyethoxy)phenyl]benzamide.
What is the SMILES notation for 4-[(3,4-dimethylphenyl)sulfonylamino]-N-[4-(2-methoxyethoxy)phenyl]benzamide?
The canonical SMILES for 4-[(3,4-dimethylphenyl)sulfonylamino]-N-[4-(2-methoxyethoxy)phenyl]benzamide is COCCOc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)c(C)c3)cc2)cc1.
What is the InChIKey of 4-[(3,4-dimethylphenyl)sulfonylamino]-N-[4-(2-methoxyethoxy)phenyl]benzamide?
The InChIKey is UHIUTXJOPCSNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5S/c1-17-4-13-23(16-18(17)2)32(28,29)26-21-7-5-19(6-8-21)24(27)25-20-9-11-22(12-10-20)31-15-14-30-3/h4-13,16,26H,14-15H2,1-3H3,(H,25,27).
What are the key properties of 4-[(3,4-dimethylphenyl)sulfonylamino]-N-[4-(2-methoxyethoxy)phenyl]benzamide?
4-[(3,4-dimethylphenyl)sulfonylamino]-N-[4-(2-methoxyethoxy)phenyl]benzamide has a molecular weight of 454.55 g/mol, XLogP of 4.38, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethylphenyl)sulfonylamino]-N-[4-(2-methoxyethoxy)phenyl]benzamide is sourced from PubChem (CID 55658123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).