[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-thiophen-3-ylacetate

C17H19NO3S — CID 2336996

IUPAC[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-thiophen-3-ylacetate
SMILESCC(C)c1ccccc1NC(=O)COC(=O)Cc1ccsc1
InChIInChI=1S/C17H19NO3S/c1-12(2)14-5-3-4-6-15(14)18-16(19)10-21-17(20)9-13-7-8-22-11-13/h3-8,11-12H,9-10H2,1-2H3,(H,18,19)
InChIKeyMOOZZMIOGVKPRY-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.60
Rot. Bonds6

About [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-thiophen-3-ylacetate

[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-thiophen-3-ylacetate (PubChem CID 2336996) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-thiophen-3-ylacetate.

Molecular Properties

Compound Name[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-thiophen-3-ylacetate
PubChem CID2336996
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC Name[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-thiophen-3-ylacetate
SMILESCC(C)c1ccccc1NC(=O)COC(=O)Cc1ccsc1
InChIInChI=1S/C17H19NO3S/c1-12(2)14-5-3-4-6-15(14)18-16(19)10-21-17(20)9-13-7-8-22-11-13/h3-8,11-12H,9-10H2,1-2H3,(H,18,19)
InChIKeyMOOZZMIOGVKPRY-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-Chlorophenyl)amino]-2-oxoethyl thiophen-3-ylacetate
CID 2078588
2-[(2-Chlorophenyl)amino]-2-oxoethyl thiophen-3-ylacetate
CID 2337009
[2-(2-Methylanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 2433040
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-(2,3,4-trifluoroanilino)ethyl] 2-thiophen-2-ylacetate
CID 2352753
2-Oxo-2-[(2,4,6-trimethylphenyl)amino]ethyl thiophen-3-ylacetate
CID 2354782
[2-(2-Methylsulfanylanilino)-2-oxoethyl] 2-thiophen-2-ylacetate
CID 2361828
[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

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-thiophen-3-ylacetate?
The IUPAC name of [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-thiophen-3-ylacetate (CID 2336996) is [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-thiophen-3-ylacetate.
What is the SMILES notation for [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-thiophen-3-ylacetate?
The canonical SMILES for [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-thiophen-3-ylacetate is CC(C)c1ccccc1NC(=O)COC(=O)Cc1ccsc1.
What is the InChIKey of [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-thiophen-3-ylacetate?
The InChIKey is MOOZZMIOGVKPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-12(2)14-5-3-4-6-15(14)18-16(19)10-21-17(20)9-13-7-8-22-11-13/h3-8,11-12H,9-10H2,1-2H3,(H,18,19).
What are the key properties of [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-thiophen-3-ylacetate?
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-thiophen-3-ylacetate has a molecular weight of 317.41 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-thiophen-3-ylacetate is sourced from PubChem (CID 2336996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).