methyl 3-[[5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzoyl]amino]benzoate

C24H24N2O6S — CID 34059714

IUPACmethyl 3-[[5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzoyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N(C)c3ccccc3OC)ccc2C)c1
InChIInChI=1S/C24H24N2O6S/c1-16-12-13-19(33(29,30)26(2)21-10-5-6-11-22(21)31-3)15-20(16)23(27)25-18-9-7-8-17(14-18)24(28)32-4/h5-15H,1-4H3,(H,25,27)
InChIKeyRXWPXDWTFSDYFS-UHFFFAOYSA-N
MW468.53 g/mol
LogP3.87
Rot. Bonds7

About methyl 3-[[5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzoyl]amino]benzoate

methyl 3-[[5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzoyl]amino]benzoate (PubChem CID 34059714) has the molecular formula C24H24N2O6S and a molecular weight of 468.53 g/mol. Its IUPAC name is methyl 3-[[5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzoyl]amino]benzoate
PubChem CID34059714
Molecular FormulaC24H24N2O6S
Molecular Weight468.53 g/mol
Exact Mass468.14
IUPAC Namemethyl 3-[[5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzoyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N(C)c3ccccc3OC)ccc2C)c1
InChIInChI=1S/C24H24N2O6S/c1-16-12-13-19(33(29,30)26(2)21-10-5-6-11-22(21)31-3)15-20(16)23(27)25-18-9-7-8-17(14-18)24(28)32-4/h5-15H,1-4H3,(H,25,27)
InChIKeyRXWPXDWTFSDYFS-UHFFFAOYSA-N
XLogP3.87
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.53
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-[[5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzoyl]amino]benzoate with MolForge

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Related Compounds

N-[3-(2-amino-2-oxoethoxy)phenyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide
CID 43049096
N-(4-cyanophenyl)-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide
CID 46797420
N-[4-[(2-methoxyacetyl)amino]phenyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide
CID 35332560
N-[2-(2-methoxyphenoxy)ethyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide
CID 38452304
5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methyl-N-(1-phenylpyrazol-3-yl)benzamide
CID 55547983
N-[(2S)-1-aminopropan-2-yl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide;hydrochloride
CID 120507374
N-[(2,3-dimethoxyphenyl)methyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide
CID 46586819
methyl 3-[[2-methyl-5-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoate
CID 26886954
5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methyl-N-(2-phenylsulfanylethyl)benzamide
CID 31444413
N-[(3,5-difluorophenyl)methyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide
CID 37391756
methyl 4-[[5-(dimethylsulfamoyl)-2-methylbenzoyl]amino]benzoate
CID 18083965
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide
CID 41157051

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzoyl]amino]benzoate?
The IUPAC name of methyl 3-[[5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzoyl]amino]benzoate (CID 34059714) is methyl 3-[[5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzoyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzoyl]amino]benzoate?
The canonical SMILES for methyl 3-[[5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzoyl]amino]benzoate is COC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N(C)c3ccccc3OC)ccc2C)c1.
What is the InChIKey of methyl 3-[[5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzoyl]amino]benzoate?
The InChIKey is RXWPXDWTFSDYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O6S/c1-16-12-13-19(33(29,30)26(2)21-10-5-6-11-22(21)31-3)15-20(16)23(27)25-18-9-7-8-17(14-18)24(28)32-4/h5-15H,1-4H3,(H,25,27).
What are the key properties of methyl 3-[[5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzoyl]amino]benzoate?
methyl 3-[[5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzoyl]amino]benzoate has a molecular weight of 468.53 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzoyl]amino]benzoate is sourced from PubChem (CID 34059714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).