5-(benzylsulfamoyl)-2-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide

C24H26N2O4S — CID 27859379

IUPAC5-(benzylsulfamoyl)-2-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
SMILESCc1cccc(OCCNC(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2C)c1
InChIInChI=1S/C24H26N2O4S/c1-18-7-6-10-21(15-18)30-14-13-25-24(27)23-16-22(12-11-19(23)2)31(28,29)26-17-20-8-4-3-5-9-20/h3-12,15-16,26H,13-14,17H2,1-2H3,(H,25,27)
InChIKeyULHFSHCXSMKSKU-UHFFFAOYSA-N
MW438.55 g/mol
LogP3.59
Rot. Bonds9

About 5-(benzylsulfamoyl)-2-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide

5-(benzylsulfamoyl)-2-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide (PubChem CID 27859379) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is 5-(benzylsulfamoyl)-2-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide.

Molecular Properties

Compound Name5-(benzylsulfamoyl)-2-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
PubChem CID27859379
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC Name5-(benzylsulfamoyl)-2-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
SMILESCc1cccc(OCCNC(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2C)c1
InChIInChI=1S/C24H26N2O4S/c1-18-7-6-10-21(15-18)30-14-13-25-24(27)23-16-22(12-11-19(23)2)31(28,29)26-17-20-8-4-3-5-9-20/h3-12,15-16,26H,13-14,17H2,1-2H3,(H,25,27)
InChIKeyULHFSHCXSMKSKU-UHFFFAOYSA-N
XLogP3.59
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(benzylsulfamoyl)-N-(2-hydroxyethyl)-2-methylbenzamide
CID 71903697
5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[3-(3-methylphenoxy)propyl]benzamide
CID 24533372
5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-(2-phenoxyethyl)benzamide
CID 32934312
5-(cyclopropylsulfamoyl)-2-methyl-N-(2-phenoxyethyl)benzamide
CID 32934577
5-(benzylsulfamoyl)-2-methyl-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119432113
5-(benzylsulfamoyl)-2-methyl-N-prop-2-enylbenzamide
CID 35154379
5-(benzylsulfamoyl)-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 51166535
5-(tert-butylsulfamoyl)-N-[2-(3-chlorophenoxy)ethyl]-2-methylbenzamide
CID 55716374
5-(benzylsulfamoyl)-2-methyl-N-(4-methyl-2-pyridinyl)benzamide
CID 25163680
2-chloro-5-[(3-methylphenyl)sulfamoyl]-N-(2-phenoxyethyl)benzamide
CID 26676882
N-[2-(3-methylphenoxy)ethyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 27859389
5-(benzylsulfamoyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methylbenzamide
CID 46550879

Frequently Asked Questions

What is the IUPAC name of 5-(benzylsulfamoyl)-2-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide?
The IUPAC name of 5-(benzylsulfamoyl)-2-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide (CID 27859379) is 5-(benzylsulfamoyl)-2-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide.
What is the SMILES notation for 5-(benzylsulfamoyl)-2-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide?
The canonical SMILES for 5-(benzylsulfamoyl)-2-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide is Cc1cccc(OCCNC(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2C)c1.
What is the InChIKey of 5-(benzylsulfamoyl)-2-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide?
The InChIKey is ULHFSHCXSMKSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-18-7-6-10-21(15-18)30-14-13-25-24(27)23-16-22(12-11-19(23)2)31(28,29)26-17-20-8-4-3-5-9-20/h3-12,15-16,26H,13-14,17H2,1-2H3,(H,25,27).
What are the key properties of 5-(benzylsulfamoyl)-2-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide?
5-(benzylsulfamoyl)-2-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide has a molecular weight of 438.55 g/mol, XLogP of 3.59, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylsulfamoyl)-2-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide is sourced from PubChem (CID 27859379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).