[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 5-sulfamoylthiophene-3-carboxylate

C14H15N3O6S3 — CID 24531108

IUPAC[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 5-sulfamoylthiophene-3-carboxylate
SMILESNS(=O)(=O)c1cc(C(=O)OCC(=O)NC(=O)NCCc2cccs2)cs1
InChIInChI=1S/C14H15N3O6S3/c15-26(21,22)12-6-9(8-25-12)13(19)23-7-11(18)17-14(20)16-4-3-10-2-1-5-24-10/h1-2,5-6,8H,3-4,7H2,(H2,15,21,22)(H2,16,17,18,20)
InChIKeyRCPOCCCVDVEEQW-UHFFFAOYSA-N
MW417.49 g/mol
LogP0.68
Rot. Bonds7

About [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 5-sulfamoylthiophene-3-carboxylate

[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 5-sulfamoylthiophene-3-carboxylate (PubChem CID 24531108) has the molecular formula C14H15N3O6S3 and a molecular weight of 417.49 g/mol. Its IUPAC name is [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 5-sulfamoylthiophene-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 5-sulfamoylthiophene-3-carboxylate
PubChem CID24531108
Molecular FormulaC14H15N3O6S3
Molecular Weight417.49 g/mol
Exact Mass417.01
IUPAC Name[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 5-sulfamoylthiophene-3-carboxylate
SMILESNS(=O)(=O)c1cc(C(=O)OCC(=O)NC(=O)NCCc2cccs2)cs1
InChIInChI=1S/C14H15N3O6S3/c15-26(21,22)12-6-9(8-25-12)13(19)23-7-11(18)17-14(20)16-4-3-10-2-1-5-24-10/h1-2,5-6,8H,3-4,7H2,(H2,15,21,22)(H2,16,17,18,20)
InChIKeyRCPOCCCVDVEEQW-UHFFFAOYSA-N
XLogP0.68
TPSA144.66 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 5-sulfamoylthiophene-3-carboxylate with MolForge

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Related Compounds

[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 27717102
[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 2,4,6-trimethylbenzoate
CID 55384222
[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 3-(2-methylpropoxy)benzoate
CID 33340577
1-O-ethyl 3-O-[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 5-nitrobenzene-1,3-dicarboxylate
CID 33328996
[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 2-(thiophene-2-carbonyl)benzoate
CID 55386197
[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 1-hydroxycyclohexane-1-carboxylate
CID 24626790
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate
CID 27936391
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 4-fluorobenzoate
CID 8861267
[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 3-chloro-1-benzothiophene-2-carboxylate
CID 55384969
[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate
CID 33497901
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 3-methoxybenzoate
CID 8866793
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 3-(trifluoromethyl)benzoate
CID 7603968

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 5-sulfamoylthiophene-3-carboxylate?
The IUPAC name of [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 5-sulfamoylthiophene-3-carboxylate (CID 24531108) is [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 5-sulfamoylthiophene-3-carboxylate.
What is the SMILES notation for [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 5-sulfamoylthiophene-3-carboxylate?
The canonical SMILES for [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 5-sulfamoylthiophene-3-carboxylate is NS(=O)(=O)c1cc(C(=O)OCC(=O)NC(=O)NCCc2cccs2)cs1.
What is the InChIKey of [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 5-sulfamoylthiophene-3-carboxylate?
The InChIKey is RCPOCCCVDVEEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O6S3/c15-26(21,22)12-6-9(8-25-12)13(19)23-7-11(18)17-14(20)16-4-3-10-2-1-5-24-10/h1-2,5-6,8H,3-4,7H2,(H2,15,21,22)(H2,16,17,18,20).
What are the key properties of [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 5-sulfamoylthiophene-3-carboxylate?
[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 5-sulfamoylthiophene-3-carboxylate has a molecular weight of 417.49 g/mol, XLogP of 0.68, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 5-sulfamoylthiophene-3-carboxylate is sourced from PubChem (CID 24531108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).