(2-anilino-2-oxoethyl) 2-thiophen-2-ylacetate

C14H13NO3S — CID 2999159

IUPAC(2-anilino-2-oxoethyl) 2-thiophen-2-ylacetate
SMILESO=C(COC(=O)Cc1cccs1)Nc1ccccc1
InChIInChI=1S/C14H13NO3S/c16-13(15-11-5-2-1-3-6-11)10-18-14(17)9-12-7-4-8-19-12/h1-8H,9-10H2,(H,15,16)
InChIKeyRVVSKCZFORTAHH-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.47
Rot. Bonds5

About (2-anilino-2-oxoethyl) 2-thiophen-2-ylacetate

(2-anilino-2-oxoethyl) 2-thiophen-2-ylacetate (PubChem CID 2999159) has the molecular formula C14H13NO3S and a molecular weight of 275.33 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl) 2-thiophen-2-ylacetate.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl) 2-thiophen-2-ylacetate
PubChem CID2999159
Molecular FormulaC14H13NO3S
Molecular Weight275.33 g/mol
Exact Mass275.06
IUPAC Name(2-anilino-2-oxoethyl) 2-thiophen-2-ylacetate
SMILESO=C(COC(=O)Cc1cccs1)Nc1ccccc1
InChIInChI=1S/C14H13NO3S/c16-13(15-11-5-2-1-3-6-11)10-18-14(17)9-12-7-4-8-19-12/h1-8H,9-10H2,(H,15,16)
InChIKeyRVVSKCZFORTAHH-UHFFFAOYSA-N
XLogP2.47
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-phenyl-2-(2-thienyl)acetamide
CID 779609
2-[(3-Chlorophenyl)amino]-2-oxoethyl thiophen-3-ylacetate
CID 2078588
2-[(2-Chlorophenyl)amino]-2-oxoethyl thiophen-3-ylacetate
CID 2337009
[(3-Fluorophenyl)carbamoyl]methyl 3-methylthiophene-2-carboxylate
CID 2502269
2-[(2,6-Dimethylphenyl)amino]-2-oxoethyl thiophen-3-ylacetate
CID 2091944
[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-(Acetylamino)phenyl]amino]-2-oxoethyl 5-methyl-2-thiophenecarboxylate
CID 2378830
[2-(4-Acetamidoanilino)-2-oxoethyl] 2-thiophen-2-ylacetate
CID 2379693

Frequently Asked Questions

What is the IUPAC name of (2-anilino-2-oxoethyl) 2-thiophen-2-ylacetate?
The IUPAC name of (2-anilino-2-oxoethyl) 2-thiophen-2-ylacetate (CID 2999159) is (2-anilino-2-oxoethyl) 2-thiophen-2-ylacetate.
What is the SMILES notation for (2-anilino-2-oxoethyl) 2-thiophen-2-ylacetate?
The canonical SMILES for (2-anilino-2-oxoethyl) 2-thiophen-2-ylacetate is O=C(COC(=O)Cc1cccs1)Nc1ccccc1.
What is the InChIKey of (2-anilino-2-oxoethyl) 2-thiophen-2-ylacetate?
The InChIKey is RVVSKCZFORTAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3S/c16-13(15-11-5-2-1-3-6-11)10-18-14(17)9-12-7-4-8-19-12/h1-8H,9-10H2,(H,15,16).
What are the key properties of (2-anilino-2-oxoethyl) 2-thiophen-2-ylacetate?
(2-anilino-2-oxoethyl) 2-thiophen-2-ylacetate has a molecular weight of 275.33 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-2-oxoethyl) 2-thiophen-2-ylacetate is sourced from PubChem (CID 2999159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).