methyl 4-[[5-(dimethylsulfamoyl)-2-methylbenzoyl]amino]benzoate

C18H20N2O5S — CID 18083965

IUPACmethyl 4-[[5-(dimethylsulfamoyl)-2-methylbenzoyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2C)cc1
InChIInChI=1S/C18H20N2O5S/c1-12-5-10-15(26(23,24)20(2)3)11-16(12)17(21)19-14-8-6-13(7-9-14)18(22)25-4/h5-11H,1-4H3,(H,19,21)
InChIKeyKRASJLFUZSDHQG-UHFFFAOYSA-N
MW376.43 g/mol
LogP2.28
Rot. Bonds5

About methyl 4-[[5-(dimethylsulfamoyl)-2-methylbenzoyl]amino]benzoate

methyl 4-[[5-(dimethylsulfamoyl)-2-methylbenzoyl]amino]benzoate (PubChem CID 18083965) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is methyl 4-[[5-(dimethylsulfamoyl)-2-methylbenzoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[5-(dimethylsulfamoyl)-2-methylbenzoyl]amino]benzoate
PubChem CID18083965
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC Namemethyl 4-[[5-(dimethylsulfamoyl)-2-methylbenzoyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2C)cc1
InChIInChI=1S/C18H20N2O5S/c1-12-5-10-15(26(23,24)20(2)3)11-16(12)17(21)19-14-8-6-13(7-9-14)18(22)25-4/h5-11H,1-4H3,(H,19,21)
InChIKeyKRASJLFUZSDHQG-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-[[3-(dimethylsulfamoyl)-4-methylbenzoyl]amino]benzoate
CID 110295930
N-[4-[(2R)-butan-2-yl]phenyl]-5-(dimethylsulfamoyl)-2-methylbenzamide
CID 9393889
2-chloro-N-(3-chloro-4-methylphenyl)-5-(dimethylsulfamoyl)benzamide
CID 2665830
methyl 3-[[5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzoyl]amino]benzoate
CID 34059714
5-(diethylsulfamoyl)-2-methyl-N-(4-methylphenyl)benzamide
CID 8760171
methyl 3-[[4-(dimethylsulfamoyl)benzoyl]amino]benzoate
CID 2676546
methyl 3-methyl-4-[(2-methyl-5-methylsulfonylbenzoyl)amino]benzoate
CID 35249899
N-(4-carbamoyl-3-methylphenyl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 56518335
5-(diethylsulfamoyl)-N-[4-(dimethylsulfamoyl)phenyl]-2-methoxybenzamide
CID 19257781
N-(4-cyanophenyl)-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide
CID 46797420
methyl 3-[[2-methyl-5-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoate
CID 26886954
2,5-dichloro-N-[4-(dimethylsulfamoyl)phenyl]benzamide
CID 9494815

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[5-(dimethylsulfamoyl)-2-methylbenzoyl]amino]benzoate?
The IUPAC name of methyl 4-[[5-(dimethylsulfamoyl)-2-methylbenzoyl]amino]benzoate (CID 18083965) is methyl 4-[[5-(dimethylsulfamoyl)-2-methylbenzoyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[5-(dimethylsulfamoyl)-2-methylbenzoyl]amino]benzoate?
The canonical SMILES for methyl 4-[[5-(dimethylsulfamoyl)-2-methylbenzoyl]amino]benzoate is COC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2C)cc1.
What is the InChIKey of methyl 4-[[5-(dimethylsulfamoyl)-2-methylbenzoyl]amino]benzoate?
The InChIKey is KRASJLFUZSDHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-12-5-10-15(26(23,24)20(2)3)11-16(12)17(21)19-14-8-6-13(7-9-14)18(22)25-4/h5-11H,1-4H3,(H,19,21).
What are the key properties of methyl 4-[[5-(dimethylsulfamoyl)-2-methylbenzoyl]amino]benzoate?
methyl 4-[[5-(dimethylsulfamoyl)-2-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-[[5-(dimethylsulfamoyl)-2-methylbenzoyl]amino]benzoate is sourced from PubChem (CID 18083965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).