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

C13H14N2O4S — CID 8568538

IUPAC[2-(cyclopropylcarbamoylamino)-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate
SMILESO=C(COC(=O)/C=C/c1ccsc1)NC(=O)NC1CC1
InChIInChI=1S/C13H14N2O4S/c16-11(15-13(18)14-10-2-3-10)7-19-12(17)4-1-9-5-6-20-8-9/h1,4-6,8,10H,2-3,7H2,(H2,14,15,16,18)/b4-1+
InChIKeySLXITHRSQZDBIT-DAFODLJHSA-N
MW294.33 g/mol
LogP1.29
Rot. Bonds5

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

[2-(cyclopropylcarbamoylamino)-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate (PubChem CID 8568538) has the molecular formula C13H14N2O4S and a molecular weight of 294.33 g/mol. Its IUPAC name is [2-(cyclopropylcarbamoylamino)-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate.

Molecular Properties

Compound Name[2-(cyclopropylcarbamoylamino)-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate
PubChem CID8568538
Molecular FormulaC13H14N2O4S
Molecular Weight294.33 g/mol
Exact Mass294.07
IUPAC Name[2-(cyclopropylcarbamoylamino)-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate
SMILESO=C(COC(=O)/C=C/c1ccsc1)NC(=O)NC1CC1
InChIInChI=1S/C13H14N2O4S/c16-11(15-13(18)14-10-2-3-10)7-19-12(17)4-1-9-5-6-20-8-9/h1,4-6,8,10H,2-3,7H2,(H2,14,15,16,18)/b4-1+
InChIKeySLXITHRSQZDBIT-DAFODLJHSA-N
XLogP1.29
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.29
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-[[(1S,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate
CID 8568463
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] (E)-3-(4-bromophenyl)prop-2-enoate
CID 7486431
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 8663810
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 8649343
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate
CID 7653888
[2-(2-methoxyethylamino)-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate
CID 7549949
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] (E)-3-(2-ethoxyphenyl)prop-2-enoate
CID 7850402
[2-(2,6-difluoroanilino)-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate
CID 8567306
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate
CID 7549866
[2-oxo-2-(4-phenoxyanilino)ethyl] (E)-3-thiophen-3-ylprop-2-enoate
CID 7549863
[2-(2-fluoroanilino)-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate
CID 7549850
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate
CID 6059042

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylcarbamoylamino)-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate?
The IUPAC name of [2-(cyclopropylcarbamoylamino)-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate (CID 8568538) is [2-(cyclopropylcarbamoylamino)-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate.
What is the SMILES notation for [2-(cyclopropylcarbamoylamino)-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate?
The canonical SMILES for [2-(cyclopropylcarbamoylamino)-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate is O=C(COC(=O)/C=C/c1ccsc1)NC(=O)NC1CC1.
What is the InChIKey of [2-(cyclopropylcarbamoylamino)-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate?
The InChIKey is SLXITHRSQZDBIT-DAFODLJHSA-N. The full InChI is InChI=1S/C13H14N2O4S/c16-11(15-13(18)14-10-2-3-10)7-19-12(17)4-1-9-5-6-20-8-9/h1,4-6,8,10H,2-3,7H2,(H2,14,15,16,18)/b4-1+.
What are the key properties of [2-(cyclopropylcarbamoylamino)-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate?
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate has a molecular weight of 294.33 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylcarbamoylamino)-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate is sourced from PubChem (CID 8568538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).