N-(2-benzylphenyl)-3-(diethylsulfamoyl)-4-methoxybenzamide

C25H28N2O4S — CID 26880143

IUPACN-(2-benzylphenyl)-3-(diethylsulfamoyl)-4-methoxybenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2Cc2ccccc2)ccc1OC
InChIInChI=1S/C25H28N2O4S/c1-4-27(5-2)32(29,30)24-18-21(15-16-23(24)31-3)25(28)26-22-14-10-9-13-20(22)17-19-11-7-6-8-12-19/h6-16,18H,4-5,17H2,1-3H3,(H,26,28)
InChIKeyMGLBJOQBKHQXST-UHFFFAOYSA-N
MW452.58 g/mol
LogP4.57
Rot. Bonds9

About N-(2-benzylphenyl)-3-(diethylsulfamoyl)-4-methoxybenzamide

N-(2-benzylphenyl)-3-(diethylsulfamoyl)-4-methoxybenzamide (PubChem CID 26880143) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is N-(2-benzylphenyl)-3-(diethylsulfamoyl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(2-benzylphenyl)-3-(diethylsulfamoyl)-4-methoxybenzamide
PubChem CID26880143
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC NameN-(2-benzylphenyl)-3-(diethylsulfamoyl)-4-methoxybenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2Cc2ccccc2)ccc1OC
InChIInChI=1S/C25H28N2O4S/c1-4-27(5-2)32(29,30)24-18-21(15-16-23(24)31-3)25(28)26-22-14-10-9-13-20(22)17-19-11-7-6-8-12-19/h6-16,18H,4-5,17H2,1-3H3,(H,26,28)
InChIKeyMGLBJOQBKHQXST-UHFFFAOYSA-N
XLogP4.57
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(diethylsulfamoyl)-N-(2-ethylsulfonylphenyl)-4-methoxybenzamide
CID 55613417
3-[benzyl(ethyl)sulfamoyl]-N-(2,4-difluorophenyl)-4-methoxybenzamide
CID 2678829
N-(2-benzylphenyl)-3-methoxy-4-propoxybenzamide
CID 2461218
N-(1-benzyl-1,2,4-triazol-3-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide
CID 55856009
N-(2-benzyl-5-methylpyrazol-3-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide
CID 55550889
3-[benzyl(ethyl)sulfamoyl]-N-(3-chloro-4-methoxyphenyl)-4-methoxybenzamide
CID 2712878
N-benzyl-N-ethyl-5-[[(4-ethylbenzoyl)amino]carbamoyl]-2-methoxybenzenesulfonamide
CID 4789084
3-(diethylsulfamoyl)-4-methoxy-N-[2-(4-methoxyphenoxy)-3-pyridinyl]benzamide
CID 55663083
N-[2-(ethylaminomethyl)phenyl]-4-methoxy-3-(methylsulfamoyl)benzamide;hydrochloride
CID 119440173
3-(diethylsulfamoyl)-N-(2-methoxy-5-methylphenyl)-4-methylbenzamide
CID 26414114
3-(diethylsulfamoyl)-4-methoxy-N-prop-2-ynylbenzamide
CID 18109975
N-(2-benzylphenyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2399081

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylphenyl)-3-(diethylsulfamoyl)-4-methoxybenzamide?
The IUPAC name of N-(2-benzylphenyl)-3-(diethylsulfamoyl)-4-methoxybenzamide (CID 26880143) is N-(2-benzylphenyl)-3-(diethylsulfamoyl)-4-methoxybenzamide.
What is the SMILES notation for N-(2-benzylphenyl)-3-(diethylsulfamoyl)-4-methoxybenzamide?
The canonical SMILES for N-(2-benzylphenyl)-3-(diethylsulfamoyl)-4-methoxybenzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2Cc2ccccc2)ccc1OC.
What is the InChIKey of N-(2-benzylphenyl)-3-(diethylsulfamoyl)-4-methoxybenzamide?
The InChIKey is MGLBJOQBKHQXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S/c1-4-27(5-2)32(29,30)24-18-21(15-16-23(24)31-3)25(28)26-22-14-10-9-13-20(22)17-19-11-7-6-8-12-19/h6-16,18H,4-5,17H2,1-3H3,(H,26,28).
What are the key properties of N-(2-benzylphenyl)-3-(diethylsulfamoyl)-4-methoxybenzamide?
N-(2-benzylphenyl)-3-(diethylsulfamoyl)-4-methoxybenzamide has a molecular weight of 452.58 g/mol, XLogP of 4.57, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylphenyl)-3-(diethylsulfamoyl)-4-methoxybenzamide is sourced from PubChem (CID 26880143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).