[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate

C18H20N4O7S — CID 3941378

IUPAC[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate
SMILESO=C(COC(=O)c1c[nH]c(=O)[nH]c1=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C18H20N4O7S/c23-15(11-29-17(25)14-10-19-18(26)21-16(14)24)20-12-5-4-6-13(9-12)30(27,28)22-7-2-1-3-8-22/h4-6,9-10H,1-3,7-8,11H2,(H,20,23)(H2,19,21,24,26)
InChIKeyRRFSRKAUGYQIJU-UHFFFAOYSA-N
MW436.45 g/mol
LogP0.03
Rot. Bonds6

About [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate

[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate (PubChem CID 3941378) has the molecular formula C18H20N4O7S and a molecular weight of 436.45 g/mol. Its IUPAC name is [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate
PubChem CID3941378
Molecular FormulaC18H20N4O7S
Molecular Weight436.45 g/mol
Exact Mass436.11
IUPAC Name[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate
SMILESO=C(COC(=O)c1c[nH]c(=O)[nH]c1=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C18H20N4O7S/c23-15(11-29-17(25)14-10-19-18(26)21-16(14)24)20-12-5-4-6-13(9-12)30(27,28)22-7-2-1-3-8-22/h4-6,9-10H,1-3,7-8,11H2,(H,20,23)(H2,19,21,24,26)
InChIKeyRRFSRKAUGYQIJU-UHFFFAOYSA-N
XLogP0.03
TPSA158.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.45
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate?
The IUPAC name of [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate (CID 3941378) is [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate?
The canonical SMILES for [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate is O=C(COC(=O)c1c[nH]c(=O)[nH]c1=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate?
The InChIKey is RRFSRKAUGYQIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O7S/c23-15(11-29-17(25)14-10-19-18(26)21-16(14)24)20-12-5-4-6-13(9-12)30(27,28)22-7-2-1-3-8-22/h4-6,9-10H,1-3,7-8,11H2,(H,20,23)(H2,19,21,24,26).
What are the key properties of [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate?
[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate has a molecular weight of 436.45 g/mol, XLogP of 0.03, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 3941378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).