[2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 2-(4-cyanophenoxy)propanoate

C19H20N2O6S2 — CID 55448516

IUPAC[2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 2-(4-cyanophenoxy)propanoate
SMILESCC(Oc1ccc(C#N)cc1)C(=O)OCC(=O)c1ccc(CCNS(C)(=O)=O)s1
InChIInChI=1S/C19H20N2O6S2/c1-13(27-15-5-3-14(11-20)4-6-15)19(23)26-12-17(22)18-8-7-16(28-18)9-10-21-29(2,24)25/h3-8,13,21H,9-10,12H2,1-2H3
InChIKeyOSWKDFDDFYYNIS-UHFFFAOYSA-N
MW436.51 g/mol
LogP1.90
Rot. Bonds10

About [2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 2-(4-cyanophenoxy)propanoate

[2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 2-(4-cyanophenoxy)propanoate (PubChem CID 55448516) has the molecular formula C19H20N2O6S2 and a molecular weight of 436.51 g/mol. Its IUPAC name is [2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 2-(4-cyanophenoxy)propanoate.

Molecular Properties

Compound Name[2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 2-(4-cyanophenoxy)propanoate
PubChem CID55448516
Molecular FormulaC19H20N2O6S2
Molecular Weight436.51 g/mol
Exact Mass436.08
IUPAC Name[2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 2-(4-cyanophenoxy)propanoate
SMILESCC(Oc1ccc(C#N)cc1)C(=O)OCC(=O)c1ccc(CCNS(C)(=O)=O)s1
InChIInChI=1S/C19H20N2O6S2/c1-13(27-15-5-3-14(11-20)4-6-15)19(23)26-12-17(22)18-8-7-16(28-18)9-10-21-29(2,24)25/h3-8,13,21H,9-10,12H2,1-2H3
InChIKeyOSWKDFDDFYYNIS-UHFFFAOYSA-N
XLogP1.90
TPSA122.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 2-(4-cyanophenoxy)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-(4-cyanophenoxy)propanoate
CID 55448496
[2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 2-methylsulfanylbutanoate
CID 75386503
N-[2-[5-[2-(4-methylsulfonylphenoxy)acetyl]thiophen-2-yl]ethyl]methanesulfonamide
CID 55450165
[2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 2-(thiophene-2-carbonylamino)propanoate
CID 55485219
[2-[di(propan-2-yl)amino]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate
CID 7983674
[2-(2-methylpropylamino)-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate
CID 7983654
[2-oxo-2-(propan-2-ylamino)ethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7983615
[2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] adamantane-2-carboxylate
CID 55449045
[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 8510608
(3,3-dimethyl-2-oxobutyl) (2S)-2-(4-cyanophenoxy)propanoate
CID 7984032
[2-oxo-2-(2-phenylethylamino)ethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7984215
[2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 27315933

Frequently Asked Questions

What is the IUPAC name of [2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 2-(4-cyanophenoxy)propanoate?
The IUPAC name of [2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 2-(4-cyanophenoxy)propanoate (CID 55448516) is [2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 2-(4-cyanophenoxy)propanoate.
What is the SMILES notation for [2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 2-(4-cyanophenoxy)propanoate?
The canonical SMILES for [2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 2-(4-cyanophenoxy)propanoate is CC(Oc1ccc(C#N)cc1)C(=O)OCC(=O)c1ccc(CCNS(C)(=O)=O)s1.
What is the InChIKey of [2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 2-(4-cyanophenoxy)propanoate?
The InChIKey is OSWKDFDDFYYNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O6S2/c1-13(27-15-5-3-14(11-20)4-6-15)19(23)26-12-17(22)18-8-7-16(28-18)9-10-21-29(2,24)25/h3-8,13,21H,9-10,12H2,1-2H3.
What are the key properties of [2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 2-(4-cyanophenoxy)propanoate?
[2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 2-(4-cyanophenoxy)propanoate has a molecular weight of 436.51 g/mol, XLogP of 1.90, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 2-(4-cyanophenoxy)propanoate is sourced from PubChem (CID 55448516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).