[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate

C17H18N4O8S — CID 4836449

IUPAC[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate
SMILESO=C(COC(=O)c1cc(=O)[nH]c(=O)[nH]1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C17H18N4O8S/c22-14-9-13(19-17(25)20-14)16(24)29-10-15(23)18-11-2-1-3-12(8-11)30(26,27)21-4-6-28-7-5-21/h1-3,8-9H,4-7,10H2,(H,18,23)(H2,19,20,22,25)
InChIKeyIJEUDOWCEYAJBJ-UHFFFAOYSA-N
MW438.42 g/mol
LogP-1.12
Rot. Bonds6

About [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate

[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate (PubChem CID 4836449) has the molecular formula C17H18N4O8S and a molecular weight of 438.42 g/mol. Its IUPAC name is [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate.

Molecular Properties

Compound Name[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate
PubChem CID4836449
Molecular FormulaC17H18N4O8S
Molecular Weight438.42 g/mol
Exact Mass438.08
IUPAC Name[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate
SMILESO=C(COC(=O)c1cc(=O)[nH]c(=O)[nH]1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C17H18N4O8S/c22-14-9-13(19-17(25)20-14)16(24)29-10-15(23)18-11-2-1-3-12(8-11)30(26,27)21-4-6-28-7-5-21/h1-3,8-9H,4-7,10H2,(H,18,23)(H2,19,20,22,25)
InChIKeyIJEUDOWCEYAJBJ-UHFFFAOYSA-N
XLogP-1.12
TPSA167.73 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.42
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate?
The IUPAC name of [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate (CID 4836449) is [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate.
What is the SMILES notation for [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate?
The canonical SMILES for [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate is O=C(COC(=O)c1cc(=O)[nH]c(=O)[nH]1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate?
The InChIKey is IJEUDOWCEYAJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O8S/c22-14-9-13(19-17(25)20-14)16(24)29-10-15(23)18-11-2-1-3-12(8-11)30(26,27)21-4-6-28-7-5-21/h1-3,8-9H,4-7,10H2,(H,18,23)(H2,19,20,22,25).
What are the key properties of [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate?
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate has a molecular weight of 438.42 g/mol, XLogP of -1.12, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate is sourced from PubChem (CID 4836449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).