(2-anilino-2-oxoethyl) 4-ethyl-5-propylthiophene-2-carboxylate

C18H21NO3S — CID 7651356

IUPAC(2-anilino-2-oxoethyl) 4-ethyl-5-propylthiophene-2-carboxylate
SMILESCCCc1sc(C(=O)OCC(=O)Nc2ccccc2)cc1CC
InChIInChI=1S/C18H21NO3S/c1-3-8-15-13(4-2)11-16(23-15)18(21)22-12-17(20)19-14-9-6-5-7-10-14/h5-7,9-11H,3-4,8,12H2,1-2H3,(H,19,20)
InChIKeyAHHCKTJPMJRBTQ-UHFFFAOYSA-N
MW331.44 g/mol
LogP4.06
Rot. Bonds7

About (2-anilino-2-oxoethyl) 4-ethyl-5-propylthiophene-2-carboxylate

(2-anilino-2-oxoethyl) 4-ethyl-5-propylthiophene-2-carboxylate (PubChem CID 7651356) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl) 4-ethyl-5-propylthiophene-2-carboxylate.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl) 4-ethyl-5-propylthiophene-2-carboxylate
PubChem CID7651356
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC Name(2-anilino-2-oxoethyl) 4-ethyl-5-propylthiophene-2-carboxylate
SMILESCCCc1sc(C(=O)OCC(=O)Nc2ccccc2)cc1CC
InChIInChI=1S/C18H21NO3S/c1-3-8-15-13(4-2)11-16(23-15)18(21)22-12-17(20)19-14-9-6-5-7-10-14/h5-7,9-11H,3-4,8,12H2,1-2H3,(H,19,20)
InChIKeyAHHCKTJPMJRBTQ-UHFFFAOYSA-N
XLogP4.06
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 4-ethyl-5-propylthiophene-2-carboxylate
CID 16512853
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 4-ethyl-5-propylthiophene-2-carboxylate
CID 16512864
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-ethyl-5-propylthiophene-2-carboxylate
CID 7651339
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 4-ethyl-5-propylthiophene-2-carboxylate
CID 7651248
[2-oxo-2-(4-phenyldiazenylanilino)ethyl] 5-methyl-4-propylthiophene-2-carboxylate
CID 7418970
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-ethyl-5-propylthiophene-2-carboxylate
CID 7651341
[2-(4-methylanilino)-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate
CID 7683646
[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 4-ethyl-5-propylthiophene-2-carboxylate
CID 7651367
[2-(2-fluoro-5-nitroanilino)-2-oxoethyl] 4-ethyl-5-propylthiophene-2-carboxylate
CID 7651396
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 4-ethyl-5-propylthiophene-2-carboxylate
CID 7651386
[2-(4-methoxyanilino)-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate
CID 7683649
(2-anilino-2-oxoethyl) 5-methylthiophene-2-carboxylate
CID 2503022

Frequently Asked Questions

What is the IUPAC name of (2-anilino-2-oxoethyl) 4-ethyl-5-propylthiophene-2-carboxylate?
The IUPAC name of (2-anilino-2-oxoethyl) 4-ethyl-5-propylthiophene-2-carboxylate (CID 7651356) is (2-anilino-2-oxoethyl) 4-ethyl-5-propylthiophene-2-carboxylate.
What is the SMILES notation for (2-anilino-2-oxoethyl) 4-ethyl-5-propylthiophene-2-carboxylate?
The canonical SMILES for (2-anilino-2-oxoethyl) 4-ethyl-5-propylthiophene-2-carboxylate is CCCc1sc(C(=O)OCC(=O)Nc2ccccc2)cc1CC.
What is the InChIKey of (2-anilino-2-oxoethyl) 4-ethyl-5-propylthiophene-2-carboxylate?
The InChIKey is AHHCKTJPMJRBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3S/c1-3-8-15-13(4-2)11-16(23-15)18(21)22-12-17(20)19-14-9-6-5-7-10-14/h5-7,9-11H,3-4,8,12H2,1-2H3,(H,19,20).
What are the key properties of (2-anilino-2-oxoethyl) 4-ethyl-5-propylthiophene-2-carboxylate?
(2-anilino-2-oxoethyl) 4-ethyl-5-propylthiophene-2-carboxylate has a molecular weight of 331.44 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-2-oxoethyl) 4-ethyl-5-propylthiophene-2-carboxylate is sourced from PubChem (CID 7651356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).