ethyl 2-[2-(2-acetylanilino)-2-oxoethyl]sulfanylacetate

C14H17NO4S — CID 8604583

IUPACethyl 2-[2-(2-acetylanilino)-2-oxoethyl]sulfanylacetate
SMILESCCOC(=O)CSCC(=O)Nc1ccccc1C(C)=O
InChIInChI=1S/C14H17NO4S/c1-3-19-14(18)9-20-8-13(17)15-12-7-5-4-6-11(12)10(2)16/h4-7H,3,8-9H2,1-2H3,(H,15,17)
InChIKeyFGDJBRXECKQQHO-UHFFFAOYSA-N
MW295.36 g/mol
LogP2.12
Rot. Bonds7

About ethyl 2-[2-(2-acetylanilino)-2-oxoethyl]sulfanylacetate

ethyl 2-[2-(2-acetylanilino)-2-oxoethyl]sulfanylacetate (PubChem CID 8604583) has the molecular formula C14H17NO4S and a molecular weight of 295.36 g/mol. Its IUPAC name is ethyl 2-[2-(2-acetylanilino)-2-oxoethyl]sulfanylacetate.

Molecular Properties

Compound Nameethyl 2-[2-(2-acetylanilino)-2-oxoethyl]sulfanylacetate
PubChem CID8604583
Molecular FormulaC14H17NO4S
Molecular Weight295.36 g/mol
Exact Mass295.09
IUPAC Nameethyl 2-[2-(2-acetylanilino)-2-oxoethyl]sulfanylacetate
SMILESCCOC(=O)CSCC(=O)Nc1ccccc1C(C)=O
InChIInChI=1S/C14H17NO4S/c1-3-19-14(18)9-20-8-13(17)15-12-7-5-4-6-11(12)10(2)16/h4-7H,3,8-9H2,1-2H3,(H,15,17)
InChIKeyFGDJBRXECKQQHO-UHFFFAOYSA-N
XLogP2.12
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[2-[2-[(3-methylphenyl)carbamoyl]anilino]-2-oxoethyl]sulfanylacetate
CID 8594868
ethyl 2-[2-oxo-2-[2-(2-phenylethylcarbamoyl)anilino]ethyl]sulfanylacetate
CID 8594862
ethyl 2-[2-(4-acetamidoanilino)-2-oxoethyl]sulfanylacetate
CID 4215614
N-(2-acetylphenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide
CID 8580172
ethyl 2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]benzoate
CID 2669314
ethyl 2-[[2-[2-(4-ethylanilino)-2-oxoethyl]sulfanylacetyl]amino]benzoate
CID 7746803
ethyl 2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylacetate
CID 3708350
N-(2-acetylphenyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide
CID 7468515
ethyl 2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetate
CID 4219982
N-(2-acetylphenyl)-2-(azetidin-3-ylmethylsulfanyl)acetamide
CID 66288630
ethyl 2-[2-(2-amino-5-fluoroanilino)-2-oxoethyl]sulfanylacetate
CID 43628684
ethyl 2-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]sulfanylacetate
CID 8604681

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2-acetylanilino)-2-oxoethyl]sulfanylacetate?
The IUPAC name of ethyl 2-[2-(2-acetylanilino)-2-oxoethyl]sulfanylacetate (CID 8604583) is ethyl 2-[2-(2-acetylanilino)-2-oxoethyl]sulfanylacetate.
What is the SMILES notation for ethyl 2-[2-(2-acetylanilino)-2-oxoethyl]sulfanylacetate?
The canonical SMILES for ethyl 2-[2-(2-acetylanilino)-2-oxoethyl]sulfanylacetate is CCOC(=O)CSCC(=O)Nc1ccccc1C(C)=O.
What is the InChIKey of ethyl 2-[2-(2-acetylanilino)-2-oxoethyl]sulfanylacetate?
The InChIKey is FGDJBRXECKQQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4S/c1-3-19-14(18)9-20-8-13(17)15-12-7-5-4-6-11(12)10(2)16/h4-7H,3,8-9H2,1-2H3,(H,15,17).
What are the key properties of ethyl 2-[2-(2-acetylanilino)-2-oxoethyl]sulfanylacetate?
ethyl 2-[2-(2-acetylanilino)-2-oxoethyl]sulfanylacetate has a molecular weight of 295.36 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2-acetylanilino)-2-oxoethyl]sulfanylacetate is sourced from PubChem (CID 8604583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).