[2-(2-chloroanilino)-2-oxoethyl] 2-thiophen-2-ylacetate

C14H12ClNO3S — CID 2352734

IUPAC[2-(2-chloroanilino)-2-oxoethyl] 2-thiophen-2-ylacetate
SMILESO=C(COC(=O)Cc1cccs1)Nc1ccccc1Cl
InChIInChI=1S/C14H12ClNO3S/c15-11-5-1-2-6-12(11)16-13(17)9-19-14(18)8-10-4-3-7-20-10/h1-7H,8-9H2,(H,16,17)
InChIKeyADLVCRRPLWNZPJ-UHFFFAOYSA-N
MW309.77 g/mol
LogP3.13
Rot. Bonds5

About [2-(2-chloroanilino)-2-oxoethyl] 2-thiophen-2-ylacetate

[2-(2-chloroanilino)-2-oxoethyl] 2-thiophen-2-ylacetate (PubChem CID 2352734) has the molecular formula C14H12ClNO3S and a molecular weight of 309.77 g/mol. Its IUPAC name is [2-(2-chloroanilino)-2-oxoethyl] 2-thiophen-2-ylacetate.

Molecular Properties

Compound Name[2-(2-chloroanilino)-2-oxoethyl] 2-thiophen-2-ylacetate
PubChem CID2352734
Molecular FormulaC14H12ClNO3S
Molecular Weight309.77 g/mol
Exact Mass309.02
IUPAC Name[2-(2-chloroanilino)-2-oxoethyl] 2-thiophen-2-ylacetate
SMILESO=C(COC(=O)Cc1cccs1)Nc1ccccc1Cl
InChIInChI=1S/C14H12ClNO3S/c15-11-5-1-2-6-12(11)16-13(17)9-19-14(18)8-10-4-3-7-20-10/h1-7H,8-9H2,(H,16,17)
InChIKeyADLVCRRPLWNZPJ-UHFFFAOYSA-N
XLogP3.13
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 53.13
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-Chloroanilino)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate
CID 4003394
[2-(3-Chloroanilino)-2-oxoethyl] thiophene-2-carboxylate
CID 1679565
2-Oxo-2-(phenylamino)ethyl thiophen-3-ylacetate
CID 2338161
[2-(2-chloroanilino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 2342876
[2-Oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-thiophen-2-ylacetate
CID 2352753
[2-(2-Methylsulfanylanilino)-2-oxoethyl] 2-thiophen-2-ylacetate
CID 2361828
[2-(4-Acetamidoanilino)-2-oxoethyl] 2-thiophen-2-ylacetate
CID 2379693
[2-(2-Chloroanilino)-2-oxoethyl] thiophene-2-carboxylate
CID 724478
2-[(3-Fluorophenyl)amino]-2-oxoethyl thiophen-3-ylacetate
CID 2082796
[2-(4-Chloro-2-fluoroanilino)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 2436100

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloroanilino)-2-oxoethyl] 2-thiophen-2-ylacetate?
The IUPAC name of [2-(2-chloroanilino)-2-oxoethyl] 2-thiophen-2-ylacetate (CID 2352734) is [2-(2-chloroanilino)-2-oxoethyl] 2-thiophen-2-ylacetate.
What is the SMILES notation for [2-(2-chloroanilino)-2-oxoethyl] 2-thiophen-2-ylacetate?
The canonical SMILES for [2-(2-chloroanilino)-2-oxoethyl] 2-thiophen-2-ylacetate is O=C(COC(=O)Cc1cccs1)Nc1ccccc1Cl.
What is the InChIKey of [2-(2-chloroanilino)-2-oxoethyl] 2-thiophen-2-ylacetate?
The InChIKey is ADLVCRRPLWNZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3S/c15-11-5-1-2-6-12(11)16-13(17)9-19-14(18)8-10-4-3-7-20-10/h1-7H,8-9H2,(H,16,17).
What are the key properties of [2-(2-chloroanilino)-2-oxoethyl] 2-thiophen-2-ylacetate?
[2-(2-chloroanilino)-2-oxoethyl] 2-thiophen-2-ylacetate has a molecular weight of 309.77 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloroanilino)-2-oxoethyl] 2-thiophen-2-ylacetate is sourced from PubChem (CID 2352734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).