methyl 3-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]acetyl]amino]benzoate

C19H23N3O7S2 — CID 30272715

IUPACmethyl 3-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]acetyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)CN(c2ccc(S(=O)(=O)N(C)C)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C19H23N3O7S2/c1-21(2)31(27,28)17-10-8-16(9-11-17)22(30(4,25)26)13-18(23)20-15-7-5-6-14(12-15)19(24)29-3/h5-12H,13H2,1-4H3,(H,20,23)
InChIKeyLAIZSNHDOFYQDK-UHFFFAOYSA-N
MW469.54 g/mol
LogP1.13
Rot. Bonds8

About methyl 3-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]acetyl]amino]benzoate

methyl 3-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]acetyl]amino]benzoate (PubChem CID 30272715) has the molecular formula C19H23N3O7S2 and a molecular weight of 469.54 g/mol. Its IUPAC name is methyl 3-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]acetyl]amino]benzoate
PubChem CID30272715
Molecular FormulaC19H23N3O7S2
Molecular Weight469.54 g/mol
Exact Mass469.10
IUPAC Namemethyl 3-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]acetyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)CN(c2ccc(S(=O)(=O)N(C)C)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C19H23N3O7S2/c1-21(2)31(27,28)17-10-8-16(9-11-17)22(30(4,25)26)13-18(23)20-15-7-5-6-14(12-15)19(24)29-3/h5-12H,13H2,1-4H3,(H,20,23)
InChIKeyLAIZSNHDOFYQDK-UHFFFAOYSA-N
XLogP1.13
TPSA130.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.54
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 3-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]acetyl]amino]benzoate with MolForge

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Related Compounds

2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(3-methylphenyl)acetamide
CID 30257983
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(3-propan-2-yloxyphenyl)acetamide
CID 30275822
methyl 4-[[2-(3-methylanilino)-2-oxoethyl]-methylsulfonylamino]benzoate
CID 113156049
methyl 4-[[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-methylsulfonylamino]benzoate
CID 56539827
methyl 4-[[2-(3-fluoroanilino)-2-oxoethyl]-methylsulfonylamino]benzoate
CID 113156070
methyl 3-[[4-(dimethylsulfamoyl)benzoyl]amino]benzoate
CID 2676546
methyl 3-[[2-(3-ethoxy-N-methylsulfonylanilino)acetyl]amino]benzoate
CID 30272698
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(2-methoxyphenyl)acetamide
CID 30261797
methyl 3-[4-(4-methoxy-N-methylsulfonylanilino)butanoylamino]benzoate
CID 53286925
N-(3-bromophenyl)-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 1082278
methyl 3-[[2-[methylsulfonyl(propyl)amino]acetyl]amino]benzoate
CID 113147599
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(2-methylphenyl)acetamide
CID 30257873

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]acetyl]amino]benzoate?
The IUPAC name of methyl 3-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]acetyl]amino]benzoate (CID 30272715) is methyl 3-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]acetyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]acetyl]amino]benzoate?
The canonical SMILES for methyl 3-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]acetyl]amino]benzoate is COC(=O)c1cccc(NC(=O)CN(c2ccc(S(=O)(=O)N(C)C)cc2)S(C)(=O)=O)c1.
What is the InChIKey of methyl 3-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]acetyl]amino]benzoate?
The InChIKey is LAIZSNHDOFYQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O7S2/c1-21(2)31(27,28)17-10-8-16(9-11-17)22(30(4,25)26)13-18(23)20-15-7-5-6-14(12-15)19(24)29-3/h5-12H,13H2,1-4H3,(H,20,23).
What are the key properties of methyl 3-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]acetyl]amino]benzoate?
methyl 3-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]acetyl]amino]benzoate has a molecular weight of 469.54 g/mol, XLogP of 1.13, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]acetyl]amino]benzoate is sourced from PubChem (CID 30272715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).