[2-(carbamoylamino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate

C10H10N2O4S — CID 2410803

IUPAC[2-(carbamoylamino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
SMILESNC(=O)NC(=O)COC(=O)/C=C/c1cccs1
InChIInChI=1S/C10H10N2O4S/c11-10(15)12-8(13)6-16-9(14)4-3-7-2-1-5-17-7/h1-5H,6H2,(H3,11,12,13,15)/b4-3+
InChIKeyONQCWUQPNHJNLZ-ONEGZZNKSA-N
MW254.27 g/mol
LogP0.50
Rot. Bonds4

About [2-(carbamoylamino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate

[2-(carbamoylamino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate (PubChem CID 2410803) has the molecular formula C10H10N2O4S and a molecular weight of 254.27 g/mol. Its IUPAC name is [2-(carbamoylamino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate.

Molecular Properties

Compound Name[2-(carbamoylamino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
PubChem CID2410803
Molecular FormulaC10H10N2O4S
Molecular Weight254.27 g/mol
Exact Mass254.04
IUPAC Name[2-(carbamoylamino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
SMILESNC(=O)NC(=O)COC(=O)/C=C/c1cccs1
InChIInChI=1S/C10H10N2O4S/c11-10(15)12-8(13)6-16-9(14)4-3-7-2-1-5-17-7/h1-5H,6H2,(H3,11,12,13,15)/b4-3+
InChIKeyONQCWUQPNHJNLZ-ONEGZZNKSA-N
XLogP0.50
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.27
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[2-(methylamino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 2423459
[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 5790220
[2-(ethylamino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 2119250
[2-(2-methylpropanoylamino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 2388181
[2-oxo-2-(prop-2-enylamino)ethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 2413625
(2-amino-2-oxoethyl) (E)-3-thiophen-2-ylprop-2-enoate
CID 2381817
[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 8956975
[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] (E)-3-(5-methylthiophen-2-yl)prop-2-enoate
CID 40707818
[2-(Carbamoylamino)-2-oxoethyl] thiophene-2-carboxylate
CID 2413192
(2-Amino-2-oxoethyl) 3-thiophen-2-ylprop-2-enoate
CID 3558823
[1-(Carbamoylamino)-1-oxopropan-2-yl] thiophene-2-carboxylate
CID 4353816
[2-Oxo-2-(prop-2-enylamino)ethyl] 3-thiophen-2-ylprop-2-enoate
CID 5236660

Frequently Asked Questions

What is the IUPAC name of [2-(carbamoylamino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate?
The IUPAC name of [2-(carbamoylamino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate (CID 2410803) is [2-(carbamoylamino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate.
What is the SMILES notation for [2-(carbamoylamino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate?
The canonical SMILES for [2-(carbamoylamino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate is NC(=O)NC(=O)COC(=O)/C=C/c1cccs1.
What is the InChIKey of [2-(carbamoylamino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate?
The InChIKey is ONQCWUQPNHJNLZ-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H10N2O4S/c11-10(15)12-8(13)6-16-9(14)4-3-7-2-1-5-17-7/h1-5H,6H2,(H3,11,12,13,15)/b4-3+.
What are the key properties of [2-(carbamoylamino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate?
[2-(carbamoylamino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate has a molecular weight of 254.27 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(carbamoylamino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate is sourced from PubChem (CID 2410803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).