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

C13H12N4O7S — CID 25047160

IUPAC[2-oxo-2-(4-sulfamoylanilino)ethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate
SMILESNS(=O)(=O)c1ccc(NC(=O)COC(=O)c2c[nH]c(=O)[nH]c2=O)cc1
InChIInChI=1S/C13H12N4O7S/c14-25(22,23)8-3-1-7(2-4-8)16-10(18)6-24-12(20)9-5-15-13(21)17-11(9)19/h1-5H,6H2,(H,16,18)(H2,14,22,23)(H2,15,17,19,21)
InChIKeyLWCCWJXGYSXHBW-UHFFFAOYSA-N
MW368.33 g/mol
LogP-1.49
Rot. Bonds5

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

[2-oxo-2-(4-sulfamoylanilino)ethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate (PubChem CID 25047160) has the molecular formula C13H12N4O7S and a molecular weight of 368.33 g/mol. Its IUPAC name is [2-oxo-2-(4-sulfamoylanilino)ethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(4-sulfamoylanilino)ethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate
PubChem CID25047160
Molecular FormulaC13H12N4O7S
Molecular Weight368.33 g/mol
Exact Mass368.04
IUPAC Name[2-oxo-2-(4-sulfamoylanilino)ethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate
SMILESNS(=O)(=O)c1ccc(NC(=O)COC(=O)c2c[nH]c(=O)[nH]c2=O)cc1
InChIInChI=1S/C13H12N4O7S/c14-25(22,23)8-3-1-7(2-4-8)16-10(18)6-24-12(20)9-5-15-13(21)17-11(9)19/h1-5H,6H2,(H,16,18)(H2,14,22,23)(H2,15,17,19,21)
InChIKeyLWCCWJXGYSXHBW-UHFFFAOYSA-N
XLogP-1.49
TPSA181.28 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.33
LogP ≤ 5-1.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(3,4-dimethylanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate
CID 23933463
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate
CID 23939647
[2-(3-nitroanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate
CID 2100965
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2,4,5-trimethoxybenzoate
CID 55316135
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2,6-difluorobenzoate
CID 2515189
[2-oxo-2-(4-sulfamoylanilino)ethyl] 4-methoxybenzoate
CID 2510265
[2-oxo-2-(4-sulfamoylanilino)ethyl] furan-2-carboxylate
CID 2389466
[2-(2-fluoro-4-methylanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate
CID 23850851
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-chloro-5-nitrobenzoate
CID 5065869
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-ethoxypyridine-3-carboxylate
CID 2497740
[2-oxo-2-(4-sulfamoylanilino)ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 7835119
[2-oxo-2-(4-sulfamoylanilino)ethyl] 4-hydroxythiophene-2-carboxylate
CID 166201469

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-sulfamoylanilino)ethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate?
The IUPAC name of [2-oxo-2-(4-sulfamoylanilino)ethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate (CID 25047160) is [2-oxo-2-(4-sulfamoylanilino)ethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for [2-oxo-2-(4-sulfamoylanilino)ethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate?
The canonical SMILES for [2-oxo-2-(4-sulfamoylanilino)ethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate is NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2c[nH]c(=O)[nH]c2=O)cc1.
What is the InChIKey of [2-oxo-2-(4-sulfamoylanilino)ethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate?
The InChIKey is LWCCWJXGYSXHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O7S/c14-25(22,23)8-3-1-7(2-4-8)16-10(18)6-24-12(20)9-5-15-13(21)17-11(9)19/h1-5H,6H2,(H,16,18)(H2,14,22,23)(H2,15,17,19,21).
What are the key properties of [2-oxo-2-(4-sulfamoylanilino)ethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate?
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate has a molecular weight of 368.33 g/mol, XLogP of -1.49, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-sulfamoylanilino)ethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 25047160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).