[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-acetamido-1,3-thiazole-4-carboxylate

C16H18N4O6S2 — CID 46605604

IUPAC[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-acetamido-1,3-thiazole-4-carboxylate
SMILESCC(=O)Nc1nc(C(=O)OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cs1
InChIInChI=1S/C16H18N4O6S2/c1-10(21)19-16-20-13(9-27-16)15(23)26-8-14(22)18-7-6-11-2-4-12(5-3-11)28(17,24)25/h2-5,9H,6-8H2,1H3,(H,18,22)(H2,17,24,25)(H,19,20,21)
InChIKeyRVIUFVCYSGVOCZ-UHFFFAOYSA-N
MW426.48 g/mol
LogP0.26
Rot. Bonds8

About [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-acetamido-1,3-thiazole-4-carboxylate

[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-acetamido-1,3-thiazole-4-carboxylate (PubChem CID 46605604) has the molecular formula C16H18N4O6S2 and a molecular weight of 426.48 g/mol. Its IUPAC name is [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-acetamido-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-acetamido-1,3-thiazole-4-carboxylate
PubChem CID46605604
Molecular FormulaC16H18N4O6S2
Molecular Weight426.48 g/mol
Exact Mass426.07
IUPAC Name[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-acetamido-1,3-thiazole-4-carboxylate
SMILESCC(=O)Nc1nc(C(=O)OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cs1
InChIInChI=1S/C16H18N4O6S2/c1-10(21)19-16-20-13(9-27-16)15(23)26-8-14(22)18-7-6-11-2-4-12(5-3-11)28(17,24)25/h2-5,9H,6-8H2,1H3,(H,18,22)(H2,17,24,25)(H,19,20,21)
InChIKeyRVIUFVCYSGVOCZ-UHFFFAOYSA-N
XLogP0.26
TPSA157.55 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

[2-(2-methoxyethylamino)-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate
CID 46605351
[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-acetamido-1,3-thiazole-4-carboxylate
CID 46605545
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 42964051
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-methylbut-2-enoate
CID 8759577
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 6-methylpyridine-3-carboxylate
CID 31172106
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate
CID 46605170
N-[4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide
CID 45497666
4-fluoro-N-[4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-1,3-thiazol-2-yl]benzamide
CID 41228817
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] furan-2-carboxylate
CID 7891668
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-(4-methylphenyl)sulfonylpropanoate
CID 40778059
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate
CID 46605172
N-[4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 27538589

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-acetamido-1,3-thiazole-4-carboxylate?
The IUPAC name of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-acetamido-1,3-thiazole-4-carboxylate (CID 46605604) is [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-acetamido-1,3-thiazole-4-carboxylate.
What is the SMILES notation for [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-acetamido-1,3-thiazole-4-carboxylate?
The canonical SMILES for [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-acetamido-1,3-thiazole-4-carboxylate is CC(=O)Nc1nc(C(=O)OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cs1.
What is the InChIKey of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-acetamido-1,3-thiazole-4-carboxylate?
The InChIKey is RVIUFVCYSGVOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O6S2/c1-10(21)19-16-20-13(9-27-16)15(23)26-8-14(22)18-7-6-11-2-4-12(5-3-11)28(17,24)25/h2-5,9H,6-8H2,1H3,(H,18,22)(H2,17,24,25)(H,19,20,21).
What are the key properties of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-acetamido-1,3-thiazole-4-carboxylate?
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-acetamido-1,3-thiazole-4-carboxylate has a molecular weight of 426.48 g/mol, XLogP of 0.26, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-acetamido-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 46605604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).