[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate

C18H20N4O7S — CID 4836506

IUPAC[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate
SMILESO=C(COC(=O)c1cc(=O)[nH]c(=O)[nH]1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C18H20N4O7S/c23-15-10-14(20-18(26)21-15)17(25)29-11-16(24)19-12-5-4-6-13(9-12)30(27,28)22-7-2-1-3-8-22/h4-6,9-10H,1-3,7-8,11H2,(H,19,24)(H2,20,21,23,26)
InChIKeyFJISIZFABSEVMQ-UHFFFAOYSA-N
MW436.45 g/mol
LogP0.03
Rot. Bonds6

About [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate

[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate (PubChem CID 4836506) 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-6-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate
PubChem CID4836506
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-6-carboxylate
SMILESO=C(COC(=O)c1cc(=O)[nH]c(=O)[nH]1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C18H20N4O7S/c23-15-10-14(20-18(26)21-15)17(25)29-11-16(24)19-12-5-4-6-13(9-12)30(27,28)22-7-2-1-3-8-22/h4-6,9-10H,1-3,7-8,11H2,(H,19,24)(H2,20,21,23,26)
InChIKeyFJISIZFABSEVMQ-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-6-carboxylate?
The IUPAC name of [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate (CID 4836506) is [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate.
What is the SMILES notation for [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate?
The canonical SMILES for [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate is O=C(COC(=O)c1cc(=O)[nH]c(=O)[nH]1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate?
The InChIKey is FJISIZFABSEVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O7S/c23-15-10-14(20-18(26)21-15)17(25)29-11-16(24)19-12-5-4-6-13(9-12)30(27,28)22-7-2-1-3-8-22/h4-6,9-10H,1-3,7-8,11H2,(H,19,24)(H2,20,21,23,26).
What are the key properties of [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate?
[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 2,4-dioxo-1H-pyrimidine-6-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-6-carboxylate is sourced from PubChem (CID 4836506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).