[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate

C16H16Cl2N2O5S2 — CID 33296744

IUPAC[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate
SMILESO=C(COC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)NCCc1cccs1
InChIInChI=1S/C16H16Cl2N2O5S2/c17-13-4-3-12(8-14(13)18)27(23,24)20-9-16(22)25-10-15(21)19-6-5-11-2-1-7-26-11/h1-4,7-8,20H,5-6,9-10H2,(H,19,21)
InChIKeyOXADHZJENCGTCN-UHFFFAOYSA-N
MW451.35 g/mol
LogP2.24
Rot. Bonds9

About [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate

[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate (PubChem CID 33296744) has the molecular formula C16H16Cl2N2O5S2 and a molecular weight of 451.35 g/mol. Its IUPAC name is [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate
PubChem CID33296744
Molecular FormulaC16H16Cl2N2O5S2
Molecular Weight451.35 g/mol
Exact Mass449.99
IUPAC Name[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate
SMILESO=C(COC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)NCCc1cccs1
InChIInChI=1S/C16H16Cl2N2O5S2/c17-13-4-3-12(8-14(13)18)27(23,24)20-9-16(22)25-10-15(21)19-6-5-11-2-1-7-26-11/h1-4,7-8,20H,5-6,9-10H2,(H,19,21)
InChIKeyOXADHZJENCGTCN-UHFFFAOYSA-N
XLogP2.24
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.35
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 8939256
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate
CID 18277091
2-(3,4-dichlorophenoxy)-N-(2-thiophen-2-ylethyl)acetamide
CID 7604220
[2-(4-chloroanilino)-2-oxoethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate
CID 35986124
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2,5-dichlorobenzoate
CID 7604407
[2-(N-methylanilino)-2-oxoethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate
CID 46794889
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 3-thiophen-2-ylpropanoate
CID 8529845
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(5-chloro-2-methoxyphenyl)acetate
CID 8616487
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(3,4-dimethylphenyl)acetate
CID 8952411
(4-bromophenyl)methyl 2-[(3,4-dichlorophenyl)sulfonylamino]acetate
CID 1218601
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-chloro-6-fluorobenzoate
CID 8863019
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-chloropyridine-3-carboxylate
CID 8864600

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate?
The IUPAC name of [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate (CID 33296744) is [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate.
What is the SMILES notation for [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate?
The canonical SMILES for [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate is O=C(COC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)NCCc1cccs1.
What is the InChIKey of [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate?
The InChIKey is OXADHZJENCGTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O5S2/c17-13-4-3-12(8-14(13)18)27(23,24)20-9-16(22)25-10-15(21)19-6-5-11-2-1-7-26-11/h1-4,7-8,20H,5-6,9-10H2,(H,19,21).
What are the key properties of [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate?
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate has a molecular weight of 451.35 g/mol, XLogP of 2.24, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate is sourced from PubChem (CID 33296744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).