[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate

C22H22N2O6S2 — CID 2364061

IUPAC[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
SMILESCOc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)NCc2cccs2)cc1
InChIInChI=1S/C22H22N2O6S2/c1-24(19-7-3-4-8-20(19)29-2)32(27,28)18-11-9-16(10-12-18)22(26)30-15-21(25)23-14-17-6-5-13-31-17/h3-13H,14-15H2,1-2H3,(H,23,25)
InChIKeyWJUFXEMEXYSODH-UHFFFAOYSA-N
MW474.56 g/mol
LogP3.06
Rot. Bonds9

About [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate

[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate (PubChem CID 2364061) has the molecular formula C22H22N2O6S2 and a molecular weight of 474.56 g/mol. Its IUPAC name is [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate.

Molecular Properties

Compound Name[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
PubChem CID2364061
Molecular FormulaC22H22N2O6S2
Molecular Weight474.56 g/mol
Exact Mass474.09
IUPAC Name[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
SMILESCOc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)NCc2cccs2)cc1
InChIInChI=1S/C22H22N2O6S2/c1-24(19-7-3-4-8-20(19)29-2)32(27,28)18-11-9-16(10-12-18)22(26)30-15-21(25)23-14-17-6-5-13-31-17/h3-13H,14-15H2,1-2H3,(H,23,25)
InChIKeyWJUFXEMEXYSODH-UHFFFAOYSA-N
XLogP3.06
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate with MolForge

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Related Compounds

N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 15945391
(1-Anilino-1-oxopropan-2-yl) 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 4791564
3-[(4-methoxyphenyl)sulfamoyl]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 5177115
N~1~-(2-methoxy-5-methylphenyl)-2-phenyl-2-[(2-thienylsulfonyl)amino]acetamide
CID 15988678
N-o-anisyl-4-(2-thienylsulfonylamino)benzamide
CID 15997618
4-Methyl-3-(4-morpholinylsulfonyl)benzoic acid [3-[[oxo(thiophen-2-yl)methyl]amino]phenyl] ester
CID 1217129
4-(dimethylsulfamoyl)-N-(2-ethoxyphenyl)benzamide
CID 1547860
4-(dimethylsulfamoyl)-N-(2-methoxyphenyl)benzamide
CID 1547898
(2-Amino-2-oxoethyl) 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 2110224
[2-(2-Methoxyanilino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2115978
[2-(Furan-2-ylmethylamino)-2-oxoethyl] 4-[methyl(phenyl)sulfamoyl]benzoate
CID 2116787
N-(2-methoxyphenyl)-2-(thiophen-2-ylsulfonylamino)benzamide
CID 2329070

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate?
The IUPAC name of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate (CID 2364061) is [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate.
What is the SMILES notation for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate?
The canonical SMILES for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate is COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)NCc2cccs2)cc1.
What is the InChIKey of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate?
The InChIKey is WJUFXEMEXYSODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O6S2/c1-24(19-7-3-4-8-20(19)29-2)32(27,28)18-11-9-16(10-12-18)22(26)30-15-21(25)23-14-17-6-5-13-31-17/h3-13H,14-15H2,1-2H3,(H,23,25).
What are the key properties of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate?
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate has a molecular weight of 474.56 g/mol, XLogP of 3.06, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate is sourced from PubChem (CID 2364061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).