methyl 4-[[4-[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]phenyl]sulfamoyl]benzoate

C19H20N2O7S — CID 55901947

IUPACmethyl 4-[[4-[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]phenyl]sulfamoyl]benzoate
SMILESCOC(=O)CNC(=O)Cc1ccc(NS(=O)(=O)c2ccc(C(=O)OC)cc2)cc1
InChIInChI=1S/C19H20N2O7S/c1-27-18(23)12-20-17(22)11-13-3-7-15(8-4-13)21-29(25,26)16-9-5-14(6-10-16)19(24)28-2/h3-10,21H,11-12H2,1-2H3,(H,20,22)
InChIKeyMWGMILBATGQWCR-UHFFFAOYSA-N
MW420.44 g/mol
LogP1.11
Rot. Bonds8

About methyl 4-[[4-[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]phenyl]sulfamoyl]benzoate

methyl 4-[[4-[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]phenyl]sulfamoyl]benzoate (PubChem CID 55901947) has the molecular formula C19H20N2O7S and a molecular weight of 420.44 g/mol. Its IUPAC name is methyl 4-[[4-[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]phenyl]sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[4-[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]phenyl]sulfamoyl]benzoate
PubChem CID55901947
Molecular FormulaC19H20N2O7S
Molecular Weight420.44 g/mol
Exact Mass420.10
IUPAC Namemethyl 4-[[4-[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]phenyl]sulfamoyl]benzoate
SMILESCOC(=O)CNC(=O)Cc1ccc(NS(=O)(=O)c2ccc(C(=O)OC)cc2)cc1
InChIInChI=1S/C19H20N2O7S/c1-27-18(23)12-20-17(22)11-13-3-7-15(8-4-13)21-29(25,26)16-9-5-14(6-10-16)19(24)28-2/h3-10,21H,11-12H2,1-2H3,(H,20,22)
InChIKeyMWGMILBATGQWCR-UHFFFAOYSA-N
XLogP1.11
TPSA127.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 4-[[4-[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]phenyl]sulfamoyl]benzoate with MolForge

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Related Compounds

methyl 4-[(4-ethylphenyl)sulfamoyl]benzoate
CID 26487109
propan-2-yl 2-[[2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetyl]amino]acetate
CID 56551038
methyl 2-[[4-[(4-nitrophenyl)sulfonylamino]benzoyl]amino]acetate
CID 46627936
methyl 4-[(4-acetamidophenyl)sulfonylamino]benzoate
CID 669173
methyl 4-[[4-[(4-bromophenyl)sulfamoyl]phenyl]sulfamoylmethyl]benzoate
CID 43886174
methyl 3-[[4-[(2-methoxy-2-oxoethyl)carbamoyl]phenyl]sulfamoyl]-4-methylbenzoate
CID 30805358
methyl 4-[[2-[[2-(4-fluorophenyl)acetyl]amino]acetyl]amino]benzoate
CID 112999943
methyl 4-[[4-(pyridin-4-ylsulfamoyl)benzoyl]amino]benzoate
CID 39393529
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(2-methylpropyl)acetamide
CID 51163743
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide
CID 17472251
methyl 2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfonylamino]acetate
CID 8841355
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-methoxyacetamide
CID 33102586

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]phenyl]sulfamoyl]benzoate?
The IUPAC name of methyl 4-[[4-[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]phenyl]sulfamoyl]benzoate (CID 55901947) is methyl 4-[[4-[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]phenyl]sulfamoyl]benzoate.
What is the SMILES notation for methyl 4-[[4-[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]phenyl]sulfamoyl]benzoate?
The canonical SMILES for methyl 4-[[4-[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]phenyl]sulfamoyl]benzoate is COC(=O)CNC(=O)Cc1ccc(NS(=O)(=O)c2ccc(C(=O)OC)cc2)cc1.
What is the InChIKey of methyl 4-[[4-[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]phenyl]sulfamoyl]benzoate?
The InChIKey is MWGMILBATGQWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O7S/c1-27-18(23)12-20-17(22)11-13-3-7-15(8-4-13)21-29(25,26)16-9-5-14(6-10-16)19(24)28-2/h3-10,21H,11-12H2,1-2H3,(H,20,22).
What are the key properties of methyl 4-[[4-[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]phenyl]sulfamoyl]benzoate?
methyl 4-[[4-[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]phenyl]sulfamoyl]benzoate has a molecular weight of 420.44 g/mol, XLogP of 1.11, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]phenyl]sulfamoyl]benzoate is sourced from PubChem (CID 55901947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).