dimethyl 2-[[2-(2-methylanilino)-2-oxoethyl]-propylsulfamoyl]benzene-1,4-dicarboxylate

C22H26N2O7S — CID 55352515

IUPACdimethyl 2-[[2-(2-methylanilino)-2-oxoethyl]-propylsulfamoyl]benzene-1,4-dicarboxylate
SMILESCCCN(CC(=O)Nc1ccccc1C)S(=O)(=O)c1cc(C(=O)OC)ccc1C(=O)OC
InChIInChI=1S/C22H26N2O7S/c1-5-12-24(14-20(25)23-18-9-7-6-8-15(18)2)32(28,29)19-13-16(21(26)30-3)10-11-17(19)22(27)31-4/h6-11,13H,5,12,14H2,1-4H3,(H,23,25)
InChIKeyGRPKYUQFLVKUPJ-UHFFFAOYSA-N
MW462.52 g/mol
LogP2.61
Rot. Bonds9

About dimethyl 2-[[2-(2-methylanilino)-2-oxoethyl]-propylsulfamoyl]benzene-1,4-dicarboxylate

dimethyl 2-[[2-(2-methylanilino)-2-oxoethyl]-propylsulfamoyl]benzene-1,4-dicarboxylate (PubChem CID 55352515) has the molecular formula C22H26N2O7S and a molecular weight of 462.52 g/mol. Its IUPAC name is dimethyl 2-[[2-(2-methylanilino)-2-oxoethyl]-propylsulfamoyl]benzene-1,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-[[2-(2-methylanilino)-2-oxoethyl]-propylsulfamoyl]benzene-1,4-dicarboxylate
PubChem CID55352515
Molecular FormulaC22H26N2O7S
Molecular Weight462.52 g/mol
Exact Mass462.15
IUPAC Namedimethyl 2-[[2-(2-methylanilino)-2-oxoethyl]-propylsulfamoyl]benzene-1,4-dicarboxylate
SMILESCCCN(CC(=O)Nc1ccccc1C)S(=O)(=O)c1cc(C(=O)OC)ccc1C(=O)OC
InChIInChI=1S/C22H26N2O7S/c1-5-12-24(14-20(25)23-18-9-7-6-8-15(18)2)32(28,29)19-13-16(21(26)30-3)10-11-17(19)22(27)31-4/h6-11,13H,5,12,14H2,1-4H3,(H,23,25)
InChIKeyGRPKYUQFLVKUPJ-UHFFFAOYSA-N
XLogP2.61
TPSA119.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.52
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(2,5-difluorophenyl)sulfonyl-propylamino]-N-(2-methylphenyl)acetamide
CID 40746083
N-(2-methylphenyl)-2-[propyl-(4-propylphenyl)sulfonylamino]acetamide
CID 24678173
2-[(4-acetamidophenyl)sulfonyl-propylamino]-N-(2-methylphenyl)acetamide
CID 4885065
N-(2-methylphenyl)-2-[propyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 24678170
2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(2-methylphenyl)acetamide
CID 3632011
N-(2-methoxyphenyl)-2-[(8-methylquinolin-5-yl)sulfonyl-propylamino]acetamide
CID 46634659
2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(propyl)amino]-N-(2-methylphenyl)acetamide
CID 55352496
4-(dipropylsulfamoyl)-N-(2-methylphenyl)benzamide
CID 3936209
ethyl 2-[[2-[methylsulfonyl(propyl)amino]acetyl]amino]benzoate
CID 113147638
methyl 3-[[2-[methylsulfonyl(propyl)amino]acetyl]amino]benzoate
CID 113147599
3-[[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylsulfamoyl]-4,5-dimethylbenzoic acid
CID 166200466
dimethyl 2-[[2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)acetyl]amino]benzene-1,4-dicarboxylate
CID 3476638

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[[2-(2-methylanilino)-2-oxoethyl]-propylsulfamoyl]benzene-1,4-dicarboxylate?
The IUPAC name of dimethyl 2-[[2-(2-methylanilino)-2-oxoethyl]-propylsulfamoyl]benzene-1,4-dicarboxylate (CID 55352515) is dimethyl 2-[[2-(2-methylanilino)-2-oxoethyl]-propylsulfamoyl]benzene-1,4-dicarboxylate.
What is the SMILES notation for dimethyl 2-[[2-(2-methylanilino)-2-oxoethyl]-propylsulfamoyl]benzene-1,4-dicarboxylate?
The canonical SMILES for dimethyl 2-[[2-(2-methylanilino)-2-oxoethyl]-propylsulfamoyl]benzene-1,4-dicarboxylate is CCCN(CC(=O)Nc1ccccc1C)S(=O)(=O)c1cc(C(=O)OC)ccc1C(=O)OC.
What is the InChIKey of dimethyl 2-[[2-(2-methylanilino)-2-oxoethyl]-propylsulfamoyl]benzene-1,4-dicarboxylate?
The InChIKey is GRPKYUQFLVKUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O7S/c1-5-12-24(14-20(25)23-18-9-7-6-8-15(18)2)32(28,29)19-13-16(21(26)30-3)10-11-17(19)22(27)31-4/h6-11,13H,5,12,14H2,1-4H3,(H,23,25).
What are the key properties of dimethyl 2-[[2-(2-methylanilino)-2-oxoethyl]-propylsulfamoyl]benzene-1,4-dicarboxylate?
dimethyl 2-[[2-(2-methylanilino)-2-oxoethyl]-propylsulfamoyl]benzene-1,4-dicarboxylate has a molecular weight of 462.52 g/mol, XLogP of 2.61, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[[2-(2-methylanilino)-2-oxoethyl]-propylsulfamoyl]benzene-1,4-dicarboxylate is sourced from PubChem (CID 55352515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).