[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate

C22H22N2O6S2 — CID 2550720

IUPAC[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate
SMILESCCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)OCC(=O)NCc2cccs2)cc1
InChIInChI=1S/C22H22N2O6S2/c1-2-29-16-9-11-18(12-10-16)32(27,28)24-20-8-4-3-7-19(20)22(26)30-15-21(25)23-14-17-6-5-13-31-17/h3-13,24H,2,14-15H2,1H3,(H,23,25)
InChIKeyWLNRVDSMPCCPOE-UHFFFAOYSA-N
MW474.56 g/mol
LogP3.42
Rot. Bonds10

About [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate

[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate (PubChem CID 2550720) 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] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Name[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate
PubChem CID2550720
Molecular FormulaC22H22N2O6S2
Molecular Weight474.56 g/mol
Exact Mass474.09
IUPAC Name[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate
SMILESCCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)OCC(=O)NCc2cccs2)cc1
InChIInChI=1S/C22H22N2O6S2/c1-2-29-16-9-11-18(12-10-16)32(27,28)24-20-8-4-3-7-19(20)22(26)30-15-21(25)23-14-17-6-5-13-31-17/h3-13,24H,2,14-15H2,1H3,(H,23,25)
InChIKeyWLNRVDSMPCCPOE-UHFFFAOYSA-N
XLogP3.42
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-oxo-2-(2-phenylethylamino)ethyl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate
CID 16527095
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 4043608
[2-(dimethylamino)-2-oxoethyl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate
CID 7951667
[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate
CID 43033031
[(2R)-1-amino-1-oxopropan-2-yl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate
CID 7371020
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)benzoate
CID 2620126
[2-oxo-2-(propylamino)ethyl] 2-[(4-chlorophenyl)sulfonylamino]benzoate
CID 2508682
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] naphthalene-1-carboxylate
CID 2364071
[(2S)-3-oxobutan-2-yl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate
CID 30044248
2-(4-ethoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 17172905
2-[(4-ethoxyphenyl)sulfonylamino]-N-propan-2-ylbenzamide
CID 1006691
methyl 2-[[2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]acetyl]amino]benzoate
CID 3573663

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate?
The IUPAC name of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate (CID 2550720) is [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate.
What is the SMILES notation for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate?
The canonical SMILES for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate is CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)OCC(=O)NCc2cccs2)cc1.
What is the InChIKey of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate?
The InChIKey is WLNRVDSMPCCPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O6S2/c1-2-29-16-9-11-18(12-10-16)32(27,28)24-20-8-4-3-7-19(20)22(26)30-15-21(25)23-14-17-6-5-13-31-17/h3-13,24H,2,14-15H2,1H3,(H,23,25).
What are the key properties of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate?
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate has a molecular weight of 474.56 g/mol, XLogP of 3.42, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate is sourced from PubChem (CID 2550720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).