[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 3-methylthiophene-2-carboxylate

C19H22N2O5S2 — CID 4802589

IUPAC[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 3-methylthiophene-2-carboxylate
SMILESCc1ccsc1C(=O)OCC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C19H22N2O5S2/c1-14-8-11-27-18(14)19(23)26-13-17(22)20-15-6-5-7-16(12-15)28(24,25)21-9-3-2-4-10-21/h5-8,11-12H,2-4,9-10,13H2,1H3,(H,20,22)
InChIKeyFOVRQPQYPABUKS-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.03
Rot. Bonds6

About [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 3-methylthiophene-2-carboxylate

[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 3-methylthiophene-2-carboxylate (PubChem CID 4802589) has the molecular formula C19H22N2O5S2 and a molecular weight of 422.53 g/mol. Its IUPAC name is [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 3-methylthiophene-2-carboxylate
PubChem CID4802589
Molecular FormulaC19H22N2O5S2
Molecular Weight422.53 g/mol
Exact Mass422.10
IUPAC Name[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 3-methylthiophene-2-carboxylate
SMILESCc1ccsc1C(=O)OCC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C19H22N2O5S2/c1-14-8-11-27-18(14)19(23)26-13-17(22)20-15-6-5-7-16(12-15)28(24,25)21-9-3-2-4-10-21/h5-8,11-12H,2-4,9-10,13H2,1H3,(H,20,22)
InChIKeyFOVRQPQYPABUKS-UHFFFAOYSA-N
XLogP3.03
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 3-methylthiophene-2-carboxylate?
The IUPAC name of [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 3-methylthiophene-2-carboxylate (CID 4802589) is [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 3-methylthiophene-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 3-methylthiophene-2-carboxylate?
The canonical SMILES for [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 3-methylthiophene-2-carboxylate is Cc1ccsc1C(=O)OCC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 3-methylthiophene-2-carboxylate?
The InChIKey is FOVRQPQYPABUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S2/c1-14-8-11-27-18(14)19(23)26-13-17(22)20-15-6-5-7-16(12-15)28(24,25)21-9-3-2-4-10-21/h5-8,11-12H,2-4,9-10,13H2,1H3,(H,20,22).
What are the key properties of [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 3-methylthiophene-2-carboxylate?
[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 3-methylthiophene-2-carboxylate has a molecular weight of 422.53 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 3-methylthiophene-2-carboxylate is sourced from PubChem (CID 4802589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).