3-(dimethylsulfamoyl)-4-methoxy-N-methyl-N-phenylbenzamide

C17H20N2O4S — CID 51161109

IUPAC3-(dimethylsulfamoyl)-4-methoxy-N-methyl-N-phenylbenzamide
SMILESCOc1ccc(C(=O)N(C)c2ccccc2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C17H20N2O4S/c1-18(2)24(21,22)16-12-13(10-11-15(16)23-4)17(20)19(3)14-8-6-5-7-9-14/h5-12H,1-4H3
InChIKeyUJBQLARUQIZAQI-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.22
Rot. Bonds5

About 3-(dimethylsulfamoyl)-4-methoxy-N-methyl-N-phenylbenzamide

3-(dimethylsulfamoyl)-4-methoxy-N-methyl-N-phenylbenzamide (PubChem CID 51161109) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-4-methoxy-N-methyl-N-phenylbenzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-4-methoxy-N-methyl-N-phenylbenzamide
PubChem CID51161109
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name3-(dimethylsulfamoyl)-4-methoxy-N-methyl-N-phenylbenzamide
SMILESCOc1ccc(C(=O)N(C)c2ccccc2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C17H20N2O4S/c1-18(2)24(21,22)16-12-13(10-11-15(16)23-4)17(20)19(3)14-8-6-5-7-9-14/h5-12H,1-4H3
InChIKeyUJBQLARUQIZAQI-UHFFFAOYSA-N
XLogP2.22
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-benzoyl-2-methoxy-N,N-dimethylbenzenesulfonamide
CID 15922038
3-(dimethylsulfamoyl)-4-methoxy-N-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 51547725
3-hydroxy-4-methoxy-N-methyl-N-phenylbenzamide
CID 79725609
3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 17027721
3-(dimethylsulfamoyl)-N-ethyl-4-methoxy-N-(3-methylbutan-2-yl)benzamide
CID 60596778
3-(dimethylsulfamoyl)-4-methoxy-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 46562527
(2R)-2-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]propanoic acid
CID 119370205
N-(cyclopentylmethyl)-3-(dimethylsulfamoyl)-4-methoxy-N-methylbenzamide
CID 52793193
3-(dimethylsulfamoyl)-N-ethyl-4-methoxy-N-[(4-phenylmethoxyphenyl)methyl]benzamide
CID 24513203
N-(2-aminoethyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide;hydrochloride
CID 119383906
N-[(2S)-2-(dimethylamino)propyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 126838118
3-(dimethylsulfamoyl)-4-methoxy-N-(naphthalen-1-ylmethyl)benzamide
CID 99589028

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-4-methoxy-N-methyl-N-phenylbenzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-4-methoxy-N-methyl-N-phenylbenzamide (CID 51161109) is 3-(dimethylsulfamoyl)-4-methoxy-N-methyl-N-phenylbenzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-4-methoxy-N-methyl-N-phenylbenzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-4-methoxy-N-methyl-N-phenylbenzamide is COc1ccc(C(=O)N(C)c2ccccc2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 3-(dimethylsulfamoyl)-4-methoxy-N-methyl-N-phenylbenzamide?
The InChIKey is UJBQLARUQIZAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-18(2)24(21,22)16-12-13(10-11-15(16)23-4)17(20)19(3)14-8-6-5-7-9-14/h5-12H,1-4H3.
What are the key properties of 3-(dimethylsulfamoyl)-4-methoxy-N-methyl-N-phenylbenzamide?
3-(dimethylsulfamoyl)-4-methoxy-N-methyl-N-phenylbenzamide has a molecular weight of 348.42 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-4-methoxy-N-methyl-N-phenylbenzamide is sourced from PubChem (CID 51161109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).