N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(2-ethoxyethoxy)benzamide

C25H28N2O5S — CID 17139622

IUPACN-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(2-ethoxyethoxy)benzamide
SMILESCCOCCOc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)c1
InChIInChI=1S/C25H28N2O5S/c1-4-31-15-16-32-22-10-6-9-20(17-22)25(28)26-21-11-13-23(14-12-21)33(29,30)27-24-18(2)7-5-8-19(24)3/h5-14,17,27H,4,15-16H2,1-3H3,(H,26,28)
InChIKeyBRENRRXAGGHYDE-UHFFFAOYSA-N
MW468.58 g/mol
LogP4.77
Rot. Bonds10

About N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(2-ethoxyethoxy)benzamide

N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(2-ethoxyethoxy)benzamide (PubChem CID 17139622) has the molecular formula C25H28N2O5S and a molecular weight of 468.58 g/mol. Its IUPAC name is N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(2-ethoxyethoxy)benzamide.

Molecular Properties

Compound NameN-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(2-ethoxyethoxy)benzamide
PubChem CID17139622
Molecular FormulaC25H28N2O5S
Molecular Weight468.58 g/mol
Exact Mass468.17
IUPAC NameN-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(2-ethoxyethoxy)benzamide
SMILESCCOCCOc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)c1
InChIInChI=1S/C25H28N2O5S/c1-4-31-15-16-32-22-10-6-9-20(17-22)25(28)26-21-11-13-23(14-12-21)33(29,30)27-24-18(2)7-5-8-19(24)3/h5-14,17,27H,4,15-16H2,1-3H3,(H,26,28)
InChIKeyBRENRRXAGGHYDE-UHFFFAOYSA-N
XLogP4.77
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 54.77
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-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-4-(2-ethoxyethoxy)benzamide
CID 17112658
N-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-3-(2-phenoxyethoxy)benzamide
CID 4955325
N-(4-acetamidophenyl)-3-(2-ethoxyethoxy)benzamide
CID 17139517
N-(4-benzamidophenyl)-3-(2-ethoxyethoxy)benzamide
CID 17235482
N-[[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-3-(2-ethoxyethoxy)benzamide
CID 17139891
N-(4-acetylphenyl)-3-(2-ethoxyethoxy)benzamide
CID 17139535
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(2-phenoxyethoxy)benzamide
CID 4954948
3-(2-ethoxyethoxy)-N-(4-phenoxyphenyl)benzamide
CID 17139540
N-(4-carbamoylphenyl)-3-(2-ethoxyethoxy)benzamide
CID 17139541
3-(2-ethoxyethoxy)-N-[4-(ethylcarbamoyl)phenyl]benzamide
CID 17234430
N-[4-(dimethylcarbamoyl)phenyl]-3-(2-ethoxyethoxy)benzamide
CID 17231253
3-(2-ethoxyethoxy)-N-[[4-(propylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 17139925

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(2-ethoxyethoxy)benzamide?
The IUPAC name of N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(2-ethoxyethoxy)benzamide (CID 17139622) is N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(2-ethoxyethoxy)benzamide.
What is the SMILES notation for N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(2-ethoxyethoxy)benzamide?
The canonical SMILES for N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(2-ethoxyethoxy)benzamide is CCOCCOc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)c1.
What is the InChIKey of N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(2-ethoxyethoxy)benzamide?
The InChIKey is BRENRRXAGGHYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O5S/c1-4-31-15-16-32-22-10-6-9-20(17-22)25(28)26-21-11-13-23(14-12-21)33(29,30)27-24-18(2)7-5-8-19(24)3/h5-14,17,27H,4,15-16H2,1-3H3,(H,26,28).
What are the key properties of N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(2-ethoxyethoxy)benzamide?
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(2-ethoxyethoxy)benzamide has a molecular weight of 468.58 g/mol, XLogP of 4.77, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(2-ethoxyethoxy)benzamide is sourced from PubChem (CID 17139622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).