3-(dimethylsulfamoyl)-N-[(4-ethoxyphenyl)-phenylmethyl]benzamide

C24H26N2O4S — CID 46433526

IUPAC3-(dimethylsulfamoyl)-N-[(4-ethoxyphenyl)-phenylmethyl]benzamide
SMILESCCOc1ccc(C(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c2ccccc2)cc1
InChIInChI=1S/C24H26N2O4S/c1-4-30-21-15-13-19(14-16-21)23(18-9-6-5-7-10-18)25-24(27)20-11-8-12-22(17-20)31(28,29)26(2)3/h5-17,23H,4H2,1-3H3,(H,25,27)
InChIKeyCAJOPCKMRITDRZ-UHFFFAOYSA-N
MW438.55 g/mol
LogP3.86
Rot. Bonds8

About 3-(dimethylsulfamoyl)-N-[(4-ethoxyphenyl)-phenylmethyl]benzamide

3-(dimethylsulfamoyl)-N-[(4-ethoxyphenyl)-phenylmethyl]benzamide (PubChem CID 46433526) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-[(4-ethoxyphenyl)-phenylmethyl]benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-[(4-ethoxyphenyl)-phenylmethyl]benzamide
PubChem CID46433526
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC Name3-(dimethylsulfamoyl)-N-[(4-ethoxyphenyl)-phenylmethyl]benzamide
SMILESCCOc1ccc(C(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c2ccccc2)cc1
InChIInChI=1S/C24H26N2O4S/c1-4-30-21-15-13-19(14-16-21)23(18-9-6-5-7-10-18)25-24(27)20-11-8-12-22(17-20)31(28,29)26(2)3/h5-17,23H,4H2,1-3H3,(H,25,27)
InChIKeyCAJOPCKMRITDRZ-UHFFFAOYSA-N
XLogP3.86
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(dimethylsulfamoyl)-N-[(1R)-1-phenylpropyl]benzamide
CID 100625308
3-(dimethylsulfamoyl)-N-[(2R)-1-phenoxypropan-2-yl]benzamide
CID 94625046
[2-(benzhydrylamino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
CID 23965276
4-cyano-N-[(4-ethoxyphenyl)-phenylmethyl]benzamide
CID 55659561
[(2R)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]-2-phenylethyl]-dimethylazanium
CID 8936150
3-(dimethylsulfamoyl)-N-(2-ethoxyphenyl)benzamide
CID 2591093
N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(diethylsulfamoyl)benzamide
CID 17459495
N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]-3-(dimethylsulfamoyl)benzamide
CID 100626865
methyl (2R)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]-3-phenylpropanoate
CID 2537053
[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl] 3-(dimethylsulfamoyl)benzoate
CID 9416369
N-[(4-ethoxyphenyl)-phenylmethyl]-2-methyl-5-sulfamoylbenzamide
CID 46433416
4-[benzenesulfonyl(methyl)amino]-N-[(1S)-1-(4-ethoxyphenyl)ethyl]benzamide
CID 93487645

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-[(4-ethoxyphenyl)-phenylmethyl]benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N-[(4-ethoxyphenyl)-phenylmethyl]benzamide (CID 46433526) is 3-(dimethylsulfamoyl)-N-[(4-ethoxyphenyl)-phenylmethyl]benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-[(4-ethoxyphenyl)-phenylmethyl]benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-[(4-ethoxyphenyl)-phenylmethyl]benzamide is CCOc1ccc(C(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c2ccccc2)cc1.
What is the InChIKey of 3-(dimethylsulfamoyl)-N-[(4-ethoxyphenyl)-phenylmethyl]benzamide?
The InChIKey is CAJOPCKMRITDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-4-30-21-15-13-19(14-16-21)23(18-9-6-5-7-10-18)25-24(27)20-11-8-12-22(17-20)31(28,29)26(2)3/h5-17,23H,4H2,1-3H3,(H,25,27).
What are the key properties of 3-(dimethylsulfamoyl)-N-[(4-ethoxyphenyl)-phenylmethyl]benzamide?
3-(dimethylsulfamoyl)-N-[(4-ethoxyphenyl)-phenylmethyl]benzamide has a molecular weight of 438.55 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-N-[(4-ethoxyphenyl)-phenylmethyl]benzamide is sourced from PubChem (CID 46433526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).