methyl 4-[[3-(dimethylsulfamoyl)-4-methylbenzoyl]amino]benzoate

C18H20N2O5S — CID 110295930

IUPACmethyl 4-[[3-(dimethylsulfamoyl)-4-methylbenzoyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)N(C)C)c2)cc1
InChIInChI=1S/C18H20N2O5S/c1-12-5-6-14(11-16(12)26(23,24)20(2)3)17(21)19-15-9-7-13(8-10-15)18(22)25-4/h5-11H,1-4H3,(H,19,21)
InChIKeyDIRRYKOORXVLIE-UHFFFAOYSA-N
MW376.43 g/mol
LogP2.28
Rot. Bonds5

About methyl 4-[[3-(dimethylsulfamoyl)-4-methylbenzoyl]amino]benzoate

methyl 4-[[3-(dimethylsulfamoyl)-4-methylbenzoyl]amino]benzoate (PubChem CID 110295930) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is methyl 4-[[3-(dimethylsulfamoyl)-4-methylbenzoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[3-(dimethylsulfamoyl)-4-methylbenzoyl]amino]benzoate
PubChem CID110295930
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC Namemethyl 4-[[3-(dimethylsulfamoyl)-4-methylbenzoyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)N(C)C)c2)cc1
InChIInChI=1S/C18H20N2O5S/c1-12-5-6-14(11-16(12)26(23,24)20(2)3)17(21)19-15-9-7-13(8-10-15)18(22)25-4/h5-11H,1-4H3,(H,19,21)
InChIKeyDIRRYKOORXVLIE-UHFFFAOYSA-N
XLogP2.28
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[5-(dimethylsulfamoyl)-2-methylbenzoyl]amino]benzoate
CID 18083965
4-O-[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 16506458
4-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-sulfamoylbenzamide
CID 24635521
N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide
CID 17397410
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(trifluoromethoxy)benzamide
CID 4280881
methyl 4-[[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzoyl]amino]benzoate
CID 5173913
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-ethoxybenzamide
CID 3635933
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-methyl-3-nitrobenzamide
CID 25435478
3-(diethylsulfamoyl)-4-methyl-N-(4-methylphenyl)benzamide
CID 2876161
3-(dimethylsulfamoyl)-N-(2-ethyl-6-methylphenyl)-4-methylbenzamide
CID 110295898
3-cyano-N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide
CID 8893485
3-(dimethylsulfamoyl)-4-methoxy-N-(4-propan-2-ylphenyl)benzamide
CID 45374027

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[3-(dimethylsulfamoyl)-4-methylbenzoyl]amino]benzoate?
The IUPAC name of methyl 4-[[3-(dimethylsulfamoyl)-4-methylbenzoyl]amino]benzoate (CID 110295930) is methyl 4-[[3-(dimethylsulfamoyl)-4-methylbenzoyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[3-(dimethylsulfamoyl)-4-methylbenzoyl]amino]benzoate?
The canonical SMILES for methyl 4-[[3-(dimethylsulfamoyl)-4-methylbenzoyl]amino]benzoate is COC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)N(C)C)c2)cc1.
What is the InChIKey of methyl 4-[[3-(dimethylsulfamoyl)-4-methylbenzoyl]amino]benzoate?
The InChIKey is DIRRYKOORXVLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-12-5-6-14(11-16(12)26(23,24)20(2)3)17(21)19-15-9-7-13(8-10-15)18(22)25-4/h5-11H,1-4H3,(H,19,21).
What are the key properties of methyl 4-[[3-(dimethylsulfamoyl)-4-methylbenzoyl]amino]benzoate?
methyl 4-[[3-(dimethylsulfamoyl)-4-methylbenzoyl]amino]benzoate has a molecular weight of 376.43 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[3-(dimethylsulfamoyl)-4-methylbenzoyl]amino]benzoate is sourced from PubChem (CID 110295930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).