4-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(3-methoxyphenoxy)ethyl]benzamide

C24H26N2O5S — CID 37148868

IUPAC4-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(3-methoxyphenoxy)ethyl]benzamide
SMILESCOc1cccc(OCCNC(=O)c2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)c1
InChIInChI=1S/C24H26N2O5S/c1-17-7-10-20(15-18(17)2)26-32(28,29)23-11-8-19(9-12-23)24(27)25-13-14-31-22-6-4-5-21(16-22)30-3/h4-12,15-16,26H,13-14H2,1-3H3,(H,25,27)
InChIKeyRCEIRYHZIVRPKG-UHFFFAOYSA-N
MW454.55 g/mol
LogP3.92
Rot. Bonds9

About 4-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(3-methoxyphenoxy)ethyl]benzamide

4-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(3-methoxyphenoxy)ethyl]benzamide (PubChem CID 37148868) has the molecular formula C24H26N2O5S and a molecular weight of 454.55 g/mol. Its IUPAC name is 4-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(3-methoxyphenoxy)ethyl]benzamide.

Molecular Properties

Compound Name4-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(3-methoxyphenoxy)ethyl]benzamide
PubChem CID37148868
Molecular FormulaC24H26N2O5S
Molecular Weight454.55 g/mol
Exact Mass454.16
IUPAC Name4-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(3-methoxyphenoxy)ethyl]benzamide
SMILESCOc1cccc(OCCNC(=O)c2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)c1
InChIInChI=1S/C24H26N2O5S/c1-17-7-10-20(15-18(17)2)26-32(28,29)23-11-8-19(9-12-23)24(27)25-13-14-31-22-6-4-5-21(16-22)30-3/h4-12,15-16,26H,13-14H2,1-3H3,(H,25,27)
InChIKeyRCEIRYHZIVRPKG-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
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-[2-(3-methoxyphenoxy)ethyl]-3,4-dimethylbenzamide
CID 94051659
N-[2-(4-methoxyphenoxy)ethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 24504263
4-[(3,4-dimethylphenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 26775951
N-(3,4-dimethylphenyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 26593901
4-[(4-fluorophenyl)sulfonylamino]-N-(2-phenoxyethyl)benzamide
CID 27758316
4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 24547957
(2S)-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide
CID 30392024
4-[(2-methoxy-5-nitrophenyl)sulfamoyl]-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 43017529
4-[(2,6-dimethylphenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide
CID 109059730
N-[2-(3-bromophenoxy)ethyl]-4-(methylsulfamoyl)benzamide
CID 55976141
4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(2-phenoxyethyl)benzamide
CID 55348301
4-(methoxysulfamoyl)-N-[3-(3-methylphenoxy)propyl]benzamide
CID 55706676

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(3-methoxyphenoxy)ethyl]benzamide?
The IUPAC name of 4-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(3-methoxyphenoxy)ethyl]benzamide (CID 37148868) is 4-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(3-methoxyphenoxy)ethyl]benzamide.
What is the SMILES notation for 4-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(3-methoxyphenoxy)ethyl]benzamide?
The canonical SMILES for 4-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(3-methoxyphenoxy)ethyl]benzamide is COc1cccc(OCCNC(=O)c2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)c1.
What is the InChIKey of 4-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(3-methoxyphenoxy)ethyl]benzamide?
The InChIKey is RCEIRYHZIVRPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5S/c1-17-7-10-20(15-18(17)2)26-32(28,29)23-11-8-19(9-12-23)24(27)25-13-14-31-22-6-4-5-21(16-22)30-3/h4-12,15-16,26H,13-14H2,1-3H3,(H,25,27).
What are the key properties of 4-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(3-methoxyphenoxy)ethyl]benzamide?
4-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(3-methoxyphenoxy)ethyl]benzamide has a molecular weight of 454.55 g/mol, XLogP of 3.92, 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)sulfamoyl]-N-[2-(3-methoxyphenoxy)ethyl]benzamide is sourced from PubChem (CID 37148868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).