N-[2-(2-methoxyphenoxy)ethyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide

C25H28N2O6S — CID 38452304

IUPACN-[2-(2-methoxyphenoxy)ethyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide
SMILESCOc1ccccc1OCCNC(=O)c1cc(S(=O)(=O)N(C)c2ccccc2OC)ccc1C
InChIInChI=1S/C25H28N2O6S/c1-18-13-14-19(34(29,30)27(2)21-9-5-6-10-22(21)31-3)17-20(18)25(28)26-15-16-33-24-12-8-7-11-23(24)32-4/h5-14,17H,15-16H2,1-4H3,(H,26,28)
InChIKeyMJWQJKAPHFSORU-UHFFFAOYSA-N
MW484.57 g/mol
LogP3.65
Rot. Bonds10

About N-[2-(2-methoxyphenoxy)ethyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide

N-[2-(2-methoxyphenoxy)ethyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide (PubChem CID 38452304) has the molecular formula C25H28N2O6S and a molecular weight of 484.57 g/mol. Its IUPAC name is N-[2-(2-methoxyphenoxy)ethyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenoxy)ethyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide
PubChem CID38452304
Molecular FormulaC25H28N2O6S
Molecular Weight484.57 g/mol
Exact Mass484.17
IUPAC NameN-[2-(2-methoxyphenoxy)ethyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide
SMILESCOc1ccccc1OCCNC(=O)c1cc(S(=O)(=O)N(C)c2ccccc2OC)ccc1C
InChIInChI=1S/C25H28N2O6S/c1-18-13-14-19(34(29,30)27(2)21-9-5-6-10-22(21)31-3)17-20(18)25(28)26-15-16-33-24-12-8-7-11-23(24)32-4/h5-14,17H,15-16H2,1-4H3,(H,26,28)
InChIKeyMJWQJKAPHFSORU-UHFFFAOYSA-N
XLogP3.65
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.57
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methyl-N-(2-phenylsulfanylethyl)benzamide
CID 31444413
N-[(2,3-dimethoxyphenyl)methyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide
CID 46586819
N-[(3,5-difluorophenyl)methyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide
CID 37391756
N-[(2S)-1-aminopropan-2-yl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide;hydrochloride
CID 120507374
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide
CID 41157051
2-chloro-N-[2-(2-methoxyphenoxy)ethyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 46558858
N-(2-acetamidoethyl)-2-chloro-5-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 26655839
N-[3-(2-amino-2-oxoethoxy)phenyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide
CID 43049096
N-[4-[(2-methoxyacetyl)amino]phenyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide
CID 35332560
methyl 3-[[5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzoyl]amino]benzoate
CID 34059714
5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methyl-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 41083114
N-(4-cyanophenyl)-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide
CID 46797420

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenoxy)ethyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide?
The IUPAC name of N-[2-(2-methoxyphenoxy)ethyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide (CID 38452304) is N-[2-(2-methoxyphenoxy)ethyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide.
What is the SMILES notation for N-[2-(2-methoxyphenoxy)ethyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide?
The canonical SMILES for N-[2-(2-methoxyphenoxy)ethyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide is COc1ccccc1OCCNC(=O)c1cc(S(=O)(=O)N(C)c2ccccc2OC)ccc1C.
What is the InChIKey of N-[2-(2-methoxyphenoxy)ethyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide?
The InChIKey is MJWQJKAPHFSORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O6S/c1-18-13-14-19(34(29,30)27(2)21-9-5-6-10-22(21)31-3)17-20(18)25(28)26-15-16-33-24-12-8-7-11-23(24)32-4/h5-14,17H,15-16H2,1-4H3,(H,26,28).
What are the key properties of N-[2-(2-methoxyphenoxy)ethyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide?
N-[2-(2-methoxyphenoxy)ethyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide has a molecular weight of 484.57 g/mol, XLogP of 3.65, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenoxy)ethyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide is sourced from PubChem (CID 38452304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).