ethyl 3-formamido-4-thiophen-2-ylpent-4-enoate

C12H15NO3S — CID 142178810

IUPACethyl 3-formamido-4-thiophen-2-ylpent-4-enoate
SMILESC=C(c1cccs1)C(CC(=O)OCC)NC=O
InChIInChI=1S/C12H15NO3S/c1-3-16-12(15)7-10(13-8-14)9(2)11-5-4-6-17-11/h4-6,8,10H,2-3,7H2,1H3,(H,13,14)
InChIKeyCNBQTQVLVQZBSU-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.83
Rot. Bonds7

About ethyl 3-formamido-4-thiophen-2-ylpent-4-enoate

ethyl 3-formamido-4-thiophen-2-ylpent-4-enoate (PubChem CID 142178810) has the molecular formula C12H15NO3S and a molecular weight of 253.32 g/mol. Its IUPAC name is ethyl 3-formamido-4-thiophen-2-ylpent-4-enoate.

Molecular Properties

Compound Nameethyl 3-formamido-4-thiophen-2-ylpent-4-enoate
PubChem CID142178810
Molecular FormulaC12H15NO3S
Molecular Weight253.32 g/mol
Exact Mass253.08
IUPAC Nameethyl 3-formamido-4-thiophen-2-ylpent-4-enoate
SMILESC=C(c1cccs1)C(CC(=O)OCC)NC=O
InChIInChI=1S/C12H15NO3S/c1-3-16-12(15)7-10(13-8-14)9(2)11-5-4-6-17-11/h4-6,8,10H,2-3,7H2,1H3,(H,13,14)
InChIKeyCNBQTQVLVQZBSU-UHFFFAOYSA-N
XLogP1.83
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2R)-2-(hydroxysulfanylamino)-4-thiophen-2-ylpent-4-enoate
CID 143200361
ethyl 2-[propan-2-yl(thiophene-2-carbonyl)amino]acetate
CID 54896878
diethyl 2-(thiophene-2-carbonylamino)propanedioate
CID 43409057
ethyl 3-oxo-2-(thiophene-2-carbonyl)-3-thiophen-2-ylpropanoate
CID 139814505
ethyl 5-oxo-5-thiophen-2-ylpentanoate
CID 94259951
ethyl (2S)-2-formamido-3-phenylpropanoate
CID 10198363
ethyl (E)-3-(1-thiophen-2-ylethenyl)hept-2-enoate
CID 11207797
ethyl 2-[ethyl-[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]acetate
CID 61012379
ethyl (2S)-4-methyl-2-(thiophene-2-carbonylamino)pentanoate
CID 125041848
ethyl 2-chloro-3-oxo-3-thiophen-2-ylpropanoate
CID 57214731
ethyl 4-[2-(thiophene-2-carbonylamino)acetyl]piperazine-1-carboxylate
CID 2622962
N-methyl-2-(1-thiophen-2-ylethenylamino)oxyacetamide
CID 90912190

Frequently Asked Questions

What is the IUPAC name of ethyl 3-formamido-4-thiophen-2-ylpent-4-enoate?
The IUPAC name of ethyl 3-formamido-4-thiophen-2-ylpent-4-enoate (CID 142178810) is ethyl 3-formamido-4-thiophen-2-ylpent-4-enoate.
What is the SMILES notation for ethyl 3-formamido-4-thiophen-2-ylpent-4-enoate?
The canonical SMILES for ethyl 3-formamido-4-thiophen-2-ylpent-4-enoate is C=C(c1cccs1)C(CC(=O)OCC)NC=O.
What is the InChIKey of ethyl 3-formamido-4-thiophen-2-ylpent-4-enoate?
The InChIKey is CNBQTQVLVQZBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3S/c1-3-16-12(15)7-10(13-8-14)9(2)11-5-4-6-17-11/h4-6,8,10H,2-3,7H2,1H3,(H,13,14).
What are the key properties of ethyl 3-formamido-4-thiophen-2-ylpent-4-enoate?
ethyl 3-formamido-4-thiophen-2-ylpent-4-enoate has a molecular weight of 253.32 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-formamido-4-thiophen-2-ylpent-4-enoate is sourced from PubChem (CID 142178810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).