ethyl 2-[prop-2-enyl(thiophene-3-carbonyl)amino]acetate

C12H15NO3S — CID 78978395

IUPACethyl 2-[prop-2-enyl(thiophene-3-carbonyl)amino]acetate
SMILESC=CCN(CC(=O)OCC)C(=O)c1ccsc1
InChIInChI=1S/C12H15NO3S/c1-3-6-13(8-11(14)16-4-2)12(15)10-5-7-17-9-10/h3,5,7,9H,1,4,6,8H2,2H3
InChIKeyFYWSZXMRFJXMEB-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.94
Rot. Bonds6

About ethyl 2-[prop-2-enyl(thiophene-3-carbonyl)amino]acetate

ethyl 2-[prop-2-enyl(thiophene-3-carbonyl)amino]acetate (PubChem CID 78978395) has the molecular formula C12H15NO3S and a molecular weight of 253.32 g/mol. Its IUPAC name is ethyl 2-[prop-2-enyl(thiophene-3-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[prop-2-enyl(thiophene-3-carbonyl)amino]acetate
PubChem CID78978395
Molecular FormulaC12H15NO3S
Molecular Weight253.32 g/mol
Exact Mass253.08
IUPAC Nameethyl 2-[prop-2-enyl(thiophene-3-carbonyl)amino]acetate
SMILESC=CCN(CC(=O)OCC)C(=O)c1ccsc1
InChIInChI=1S/C12H15NO3S/c1-3-6-13(8-11(14)16-4-2)12(15)10-5-7-17-9-10/h3,5,7,9H,1,4,6,8H2,2H3
InChIKeyFYWSZXMRFJXMEB-UHFFFAOYSA-N
XLogP1.94
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[(3-fluoro-4-methylbenzoyl)-prop-2-enylamino]acetate
CID 78978449
ethyl 2-[[4-(methylsulfanylmethyl)benzoyl]-prop-2-enylamino]acetate
CID 78978188
ethyl 2-[(4-hydroxy-2-methylbenzoyl)-prop-2-enylamino]acetate
CID 103874553
ethyl 2-[(4-fluoro-3-methoxybenzoyl)-prop-2-enylamino]acetate
CID 81013907
ethyl 2-[1,3-dihydro-2-benzofuran-5-carbonyl(prop-2-enyl)amino]acetate
CID 78986459
ethyl 2-[(1,5-dimethylpyrrole-2-carbonyl)-prop-2-enylamino]acetate
CID 113331339
ethyl 2-[1,2-oxazole-3-carbonyl(prop-2-enyl)amino]acetate
CID 79001277
ethyl 2-[(1-ethylpyrrole-2-carbonyl)-prop-2-enylamino]acetate
CID 113331340
ethyl 2-[(4,5-dibromothiophene-2-carbonyl)-prop-2-enylamino]acetate
CID 78978746
ethyl 2-[3H-benzimidazole-5-carbonyl(prop-2-enyl)amino]acetate
CID 115538918
N-[3-[bis(prop-2-enyl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 78803647
ethyl 2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-prop-2-enylamino]acetate
CID 115538904

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[prop-2-enyl(thiophene-3-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[prop-2-enyl(thiophene-3-carbonyl)amino]acetate (CID 78978395) is ethyl 2-[prop-2-enyl(thiophene-3-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[prop-2-enyl(thiophene-3-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[prop-2-enyl(thiophene-3-carbonyl)amino]acetate is C=CCN(CC(=O)OCC)C(=O)c1ccsc1.
What is the InChIKey of ethyl 2-[prop-2-enyl(thiophene-3-carbonyl)amino]acetate?
The InChIKey is FYWSZXMRFJXMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3S/c1-3-6-13(8-11(14)16-4-2)12(15)10-5-7-17-9-10/h3,5,7,9H,1,4,6,8H2,2H3.
What are the key properties of ethyl 2-[prop-2-enyl(thiophene-3-carbonyl)amino]acetate?
ethyl 2-[prop-2-enyl(thiophene-3-carbonyl)amino]acetate has a molecular weight of 253.32 g/mol, XLogP of 1.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[prop-2-enyl(thiophene-3-carbonyl)amino]acetate is sourced from PubChem (CID 78978395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).