[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-oxo-1H-pyridine-3-carboxylate

C18H19N3O6S — CID 2357903

IUPAC[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-oxo-1H-pyridine-3-carboxylate
SMILESO=C(COC(=O)c1ccc[nH]c1=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C18H19N3O6S/c22-16(12-27-18(24)15-4-3-9-19-17(15)23)20-13-5-7-14(8-6-13)28(25,26)21-10-1-2-11-21/h3-9H,1-2,10-12H2,(H,19,23)(H,20,22)
InChIKeyIEHFVHSAJAPMFI-UHFFFAOYSA-N
MW405.43 g/mol
LogP0.95
Rot. Bonds6

About [2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-oxo-1H-pyridine-3-carboxylate

[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-oxo-1H-pyridine-3-carboxylate (PubChem CID 2357903) has the molecular formula C18H19N3O6S and a molecular weight of 405.43 g/mol. Its IUPAC name is [2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-oxo-1H-pyridine-3-carboxylate
PubChem CID2357903
Molecular FormulaC18H19N3O6S
Molecular Weight405.43 g/mol
Exact Mass405.10
IUPAC Name[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-oxo-1H-pyridine-3-carboxylate
SMILESO=C(COC(=O)c1ccc[nH]c1=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C18H19N3O6S/c22-16(12-27-18(24)15-4-3-9-19-17(15)23)20-13-5-7-14(8-6-13)28(25,26)21-10-1-2-11-21/h3-9H,1-2,10-12H2,(H,19,23)(H,20,22)
InChIKeyIEHFVHSAJAPMFI-UHFFFAOYSA-N
XLogP0.95
TPSA125.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of [2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-oxo-1H-pyridine-3-carboxylate (CID 2357903) is [2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for [2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for [2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-oxo-1H-pyridine-3-carboxylate is O=C(COC(=O)c1ccc[nH]c1=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of [2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is IEHFVHSAJAPMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O6S/c22-16(12-27-18(24)15-4-3-9-19-17(15)23)20-13-5-7-14(8-6-13)28(25,26)21-10-1-2-11-21/h3-9H,1-2,10-12H2,(H,19,23)(H,20,22).
What are the key properties of [2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-oxo-1H-pyridine-3-carboxylate?
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-oxo-1H-pyridine-3-carboxylate has a molecular weight of 405.43 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 2357903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).