[2-(2-cyanoanilino)-2-oxoethyl] thiophene-2-carboxylate

C14H10N2O3S — CID 2377838

IUPAC[2-(2-cyanoanilino)-2-oxoethyl] thiophene-2-carboxylate
SMILESN#Cc1ccccc1NC(=O)COC(=O)c1cccs1
InChIInChI=1S/C14H10N2O3S/c15-8-10-4-1-2-5-11(10)16-13(17)9-19-14(18)12-6-3-7-20-12/h1-7H,9H2,(H,16,17)
InChIKeySTGUFIWLJIXNIA-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.42
Rot. Bonds4

About [2-(2-cyanoanilino)-2-oxoethyl] thiophene-2-carboxylate

[2-(2-cyanoanilino)-2-oxoethyl] thiophene-2-carboxylate (PubChem CID 2377838) has the molecular formula C14H10N2O3S and a molecular weight of 286.31 g/mol. Its IUPAC name is [2-(2-cyanoanilino)-2-oxoethyl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(2-cyanoanilino)-2-oxoethyl] thiophene-2-carboxylate
PubChem CID2377838
Molecular FormulaC14H10N2O3S
Molecular Weight286.31 g/mol
Exact Mass286.04
IUPAC Name[2-(2-cyanoanilino)-2-oxoethyl] thiophene-2-carboxylate
SMILESN#Cc1ccccc1NC(=O)COC(=O)c1cccs1
InChIInChI=1S/C14H10N2O3S/c15-8-10-4-1-2-5-11(10)16-13(17)9-19-14(18)12-6-3-7-20-12/h1-7H,9H2,(H,16,17)
InChIKeySTGUFIWLJIXNIA-UHFFFAOYSA-N
XLogP2.42
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 3-[(4-cyanobenzoyl)amino]thiophene-2-carboxylate
CID 2808363
[2-(4-fluoroanilino)-2-oxoethyl] 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate
CID 2099546
[(3-Fluorophenyl)carbamoyl]methyl 3-methylthiophene-2-carboxylate
CID 2502269
2-thiophenecarboxylic acid (6-methyl-2-oxo-1H-quinolin-3-yl)methyl ester
CID 938851
Methyl 2-[(2-thienylcarbonyl)amino]benzoate
CID 681893
Ethyl 2-(thiophene-2-carbonylamino)benzoate
CID 677613
2-Oxo-2-(phenylamino)ethyl thiophen-3-ylacetate
CID 2338161
[2-(3-Acetylanilino)-2-oxoethyl] thiophene-2-carboxylate
CID 2353604
[2-(2,4-Dimethylanilino)-2-oxoethyl] 5-nitrothiophene-2-carboxylate
CID 2378433
2-[[4-(Acetylamino)phenyl]amino]-2-oxoethyl 5-methyl-2-thiophenecarboxylate
CID 2378830
[2-(2-Cyanoanilino)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 2409339
[2-[(3-Cyanothiophen-2-yl)amino]-2-oxoethyl] 4-(carbamoylamino)benzoate
CID 2411910

Frequently Asked Questions

What is the IUPAC name of [2-(2-cyanoanilino)-2-oxoethyl] thiophene-2-carboxylate?
The IUPAC name of [2-(2-cyanoanilino)-2-oxoethyl] thiophene-2-carboxylate (CID 2377838) is [2-(2-cyanoanilino)-2-oxoethyl] thiophene-2-carboxylate.
What is the SMILES notation for [2-(2-cyanoanilino)-2-oxoethyl] thiophene-2-carboxylate?
The canonical SMILES for [2-(2-cyanoanilino)-2-oxoethyl] thiophene-2-carboxylate is N#Cc1ccccc1NC(=O)COC(=O)c1cccs1.
What is the InChIKey of [2-(2-cyanoanilino)-2-oxoethyl] thiophene-2-carboxylate?
The InChIKey is STGUFIWLJIXNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3S/c15-8-10-4-1-2-5-11(10)16-13(17)9-19-14(18)12-6-3-7-20-12/h1-7H,9H2,(H,16,17).
What are the key properties of [2-(2-cyanoanilino)-2-oxoethyl] thiophene-2-carboxylate?
[2-(2-cyanoanilino)-2-oxoethyl] thiophene-2-carboxylate has a molecular weight of 286.31 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-cyanoanilino)-2-oxoethyl] thiophene-2-carboxylate is sourced from PubChem (CID 2377838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).