[2-(3-acetylanilino)-2-oxoethyl] thiophene-2-carboxylate

C15H13NO4S — CID 2353604

IUPAC[2-(3-acetylanilino)-2-oxoethyl] thiophene-2-carboxylate
SMILESCC(=O)c1cccc(NC(=O)COC(=O)c2cccs2)c1
InChIInChI=1S/C15H13NO4S/c1-10(17)11-4-2-5-12(8-11)16-14(18)9-20-15(19)13-6-3-7-21-13/h2-8H,9H2,1H3,(H,16,18)
InChIKeyJPZIQVHLBKUACP-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.75
Rot. Bonds5

About [2-(3-acetylanilino)-2-oxoethyl] thiophene-2-carboxylate

[2-(3-acetylanilino)-2-oxoethyl] thiophene-2-carboxylate (PubChem CID 2353604) has the molecular formula C15H13NO4S and a molecular weight of 303.34 g/mol. Its IUPAC name is [2-(3-acetylanilino)-2-oxoethyl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(3-acetylanilino)-2-oxoethyl] thiophene-2-carboxylate
PubChem CID2353604
Molecular FormulaC15H13NO4S
Molecular Weight303.34 g/mol
Exact Mass303.06
IUPAC Name[2-(3-acetylanilino)-2-oxoethyl] thiophene-2-carboxylate
SMILESCC(=O)c1cccc(NC(=O)COC(=O)c2cccs2)c1
InChIInChI=1S/C15H13NO4S/c1-10(17)11-4-2-5-12(8-11)16-14(18)9-20-15(19)13-6-3-7-21-13/h2-8H,9H2,1H3,(H,16,18)
InChIKeyJPZIQVHLBKUACP-UHFFFAOYSA-N
XLogP2.75
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 4-[(thiophen-2-ylacetyl)amino]benzoate
CID 779619
Methyl 3-(2-phenylacetamido)thiophene-2-carboxylate
CID 4079571
[2-(4-fluoroanilino)-2-oxoethyl] 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate
CID 2099546
3-[[(3-Acetylanilino)-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester
CID 970042
[(3-Fluorophenyl)carbamoyl]methyl 3-methylthiophene-2-carboxylate
CID 2502269
[2-Oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-thiophen-3-ylacetate
CID 7968658
2-(4-Acetamido-2-fluorophenyl)-2-oxoethyl thiophene-2-carboxylate
CID 9460276
Propyl 4-{[3-(2-thienyl)acryloyl]amino}benzoate
CID 2166331
Methyl 3-(benzoylamino)-2-thiophenecarboxylate
CID 738341
Methyl 2-methyl-3-[(2-thienylcarbonyl)amino]benzoate
CID 888367
ethyl 4-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzoate
CID 2329433
4-(2-Thiophen-2-yl-acetylamino)-benzoic acid propyl ester
CID 2273311

Frequently Asked Questions

What is the IUPAC name of [2-(3-acetylanilino)-2-oxoethyl] thiophene-2-carboxylate?
The IUPAC name of [2-(3-acetylanilino)-2-oxoethyl] thiophene-2-carboxylate (CID 2353604) is [2-(3-acetylanilino)-2-oxoethyl] thiophene-2-carboxylate.
What is the SMILES notation for [2-(3-acetylanilino)-2-oxoethyl] thiophene-2-carboxylate?
The canonical SMILES for [2-(3-acetylanilino)-2-oxoethyl] thiophene-2-carboxylate is CC(=O)c1cccc(NC(=O)COC(=O)c2cccs2)c1.
What is the InChIKey of [2-(3-acetylanilino)-2-oxoethyl] thiophene-2-carboxylate?
The InChIKey is JPZIQVHLBKUACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4S/c1-10(17)11-4-2-5-12(8-11)16-14(18)9-20-15(19)13-6-3-7-21-13/h2-8H,9H2,1H3,(H,16,18).
What are the key properties of [2-(3-acetylanilino)-2-oxoethyl] thiophene-2-carboxylate?
[2-(3-acetylanilino)-2-oxoethyl] thiophene-2-carboxylate has a molecular weight of 303.34 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-acetylanilino)-2-oxoethyl] thiophene-2-carboxylate is sourced from PubChem (CID 2353604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).