[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate

C17H19NO3S — CID 2465015

IUPAC[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate
SMILESCCc1cccc(C)c1NC(=O)COC(=O)Cc1ccsc1
InChIInChI=1S/C17H19NO3S/c1-3-14-6-4-5-12(2)17(14)18-15(19)10-21-16(20)9-13-7-8-22-11-13/h4-8,11H,3,9-10H2,1-2H3,(H,18,19)
InChIKeyWTJBRTWHDKQEBS-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.34
Rot. Bonds6

About [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate

[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate (PubChem CID 2465015) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate.

Molecular Properties

Compound Name[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate
PubChem CID2465015
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC Name[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate
SMILESCCc1cccc(C)c1NC(=O)COC(=O)Cc1ccsc1
InChIInChI=1S/C17H19NO3S/c1-3-14-6-4-5-12(2)17(14)18-15(19)10-21-16(20)9-13-7-8-22-11-13/h4-8,11H,3,9-10H2,1-2H3,(H,18,19)
InChIKeyWTJBRTWHDKQEBS-UHFFFAOYSA-N
XLogP3.34
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,6-Dimethylphenyl)amino]-2-oxoethyl thiophen-3-ylacetate
CID 2091944
[2-(2-Methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 2336809
[2-(2,6-Diethylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 2338102
2-Oxo-2-(phenylamino)ethyl thiophen-3-ylacetate
CID 2338161
2-Oxo-2-[(2,4,6-trimethylphenyl)amino]ethyl thiophen-3-ylacetate
CID 2354782
[2-(4-Acetamidoanilino)-2-oxoethyl] 2-thiophen-2-ylacetate
CID 2379693
2-Oxo-2-[(2,4,6-trimethylphenyl)amino]ethyl thiophen-2-ylacetate
CID 7799302
[2-(2-Methylanilino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 7800079
Thiophene-2-carboxylic acid (4-ethyl-phenylcarbamoyl)-methyl ester
CID 724429
Thiophene-2-carboxylic acid (2-ethyl-phenylcarbamoyl)-methyl ester
CID 724994
2-[(3-Fluorophenyl)amino]-2-oxoethyl thiophen-3-ylacetate
CID 2082796
[2-(2,6-dimethylanilino)-2-oxoethyl] (2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate
CID 2115423

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate?
The IUPAC name of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate (CID 2465015) is [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate.
What is the SMILES notation for [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate?
The canonical SMILES for [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate is CCc1cccc(C)c1NC(=O)COC(=O)Cc1ccsc1.
What is the InChIKey of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate?
The InChIKey is WTJBRTWHDKQEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-3-14-6-4-5-12(2)17(14)18-15(19)10-21-16(20)9-13-7-8-22-11-13/h4-8,11H,3,9-10H2,1-2H3,(H,18,19).
What are the key properties of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate?
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate has a molecular weight of 317.41 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate is sourced from PubChem (CID 2465015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).