ethyl 2-[2-(4-acetamidoanilino)-2-oxoethyl]sulfanylacetate

C14H18N2O4S — CID 4215614

IUPACethyl 2-[2-(4-acetamidoanilino)-2-oxoethyl]sulfanylacetate
SMILESCCOC(=O)CSCC(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C14H18N2O4S/c1-3-20-14(19)9-21-8-13(18)16-12-6-4-11(5-7-12)15-10(2)17/h4-7H,3,8-9H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyFLBFTYTUTHBKQP-UHFFFAOYSA-N
MW310.38 g/mol
LogP1.88
Rot. Bonds7

About ethyl 2-[2-(4-acetamidoanilino)-2-oxoethyl]sulfanylacetate

ethyl 2-[2-(4-acetamidoanilino)-2-oxoethyl]sulfanylacetate (PubChem CID 4215614) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is ethyl 2-[2-(4-acetamidoanilino)-2-oxoethyl]sulfanylacetate.

Molecular Properties

Compound Nameethyl 2-[2-(4-acetamidoanilino)-2-oxoethyl]sulfanylacetate
PubChem CID4215614
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC Nameethyl 2-[2-(4-acetamidoanilino)-2-oxoethyl]sulfanylacetate
SMILESCCOC(=O)CSCC(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C14H18N2O4S/c1-3-20-14(19)9-21-8-13(18)16-12-6-4-11(5-7-12)15-10(2)17/h4-7H,3,8-9H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyFLBFTYTUTHBKQP-UHFFFAOYSA-N
XLogP1.88
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetate
CID 4219982
ethyl 2-[2-(4-cyanoanilino)-2-oxoethyl]sulfanylacetate
CID 4089203
ethyl 2-[2-(4-butoxyanilino)-2-oxoethyl]sulfanylacetate
CID 650071
propan-2-yl 4-[[2-(2-ethoxy-2-oxoethyl)sulfanylacetyl]amino]benzoate
CID 8604556
ethyl 2-[2-[4-(2,5-dimethylphenyl)sulfanylanilino]-2-oxoethyl]sulfanylacetate
CID 18277337
ethyl 2-[2-(2-acetylanilino)-2-oxoethyl]sulfanylacetate
CID 8604583
ethyl 4-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl-3-oxobutanoate
CID 28697785
ethyl 2-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]sulfanylacetate
CID 9286927
ethyl 2-[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]sulfanylacetate
CID 9286921
N-(4-acetamidophenyl)-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide
CID 31549286
ethyl 2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylacetate
CID 3708350
[2-(ethylamino)-2-oxoethyl] 2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetate
CID 2502076

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(4-acetamidoanilino)-2-oxoethyl]sulfanylacetate?
The IUPAC name of ethyl 2-[2-(4-acetamidoanilino)-2-oxoethyl]sulfanylacetate (CID 4215614) is ethyl 2-[2-(4-acetamidoanilino)-2-oxoethyl]sulfanylacetate.
What is the SMILES notation for ethyl 2-[2-(4-acetamidoanilino)-2-oxoethyl]sulfanylacetate?
The canonical SMILES for ethyl 2-[2-(4-acetamidoanilino)-2-oxoethyl]sulfanylacetate is CCOC(=O)CSCC(=O)Nc1ccc(NC(C)=O)cc1.
What is the InChIKey of ethyl 2-[2-(4-acetamidoanilino)-2-oxoethyl]sulfanylacetate?
The InChIKey is FLBFTYTUTHBKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c1-3-20-14(19)9-21-8-13(18)16-12-6-4-11(5-7-12)15-10(2)17/h4-7H,3,8-9H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of ethyl 2-[2-(4-acetamidoanilino)-2-oxoethyl]sulfanylacetate?
ethyl 2-[2-(4-acetamidoanilino)-2-oxoethyl]sulfanylacetate has a molecular weight of 310.38 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(4-acetamidoanilino)-2-oxoethyl]sulfanylacetate is sourced from PubChem (CID 4215614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).