[2-(4-chloroanilino)-2-oxoethyl] 2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetate

C17H21ClN2O4S — CID 2612967

IUPAC[2-(4-chloroanilino)-2-oxoethyl] 2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetate
SMILESO=C(COC(=O)CSCC(=O)N1CCCCC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H21ClN2O4S/c18-13-4-6-14(7-5-13)19-15(21)10-24-17(23)12-25-11-16(22)20-8-2-1-3-9-20/h4-7H,1-3,8-12H2,(H,19,21)
InChIKeyFTUXZKJWMXIRTQ-UHFFFAOYSA-N
MW384.89 g/mol
LogP2.57
Rot. Bonds7

About [2-(4-chloroanilino)-2-oxoethyl] 2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetate

[2-(4-chloroanilino)-2-oxoethyl] 2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetate (PubChem CID 2612967) has the molecular formula C17H21ClN2O4S and a molecular weight of 384.89 g/mol. Its IUPAC name is [2-(4-chloroanilino)-2-oxoethyl] 2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetate.

Molecular Properties

Compound Name[2-(4-chloroanilino)-2-oxoethyl] 2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetate
PubChem CID2612967
Molecular FormulaC17H21ClN2O4S
Molecular Weight384.89 g/mol
Exact Mass384.09
IUPAC Name[2-(4-chloroanilino)-2-oxoethyl] 2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetate
SMILESO=C(COC(=O)CSCC(=O)N1CCCCC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H21ClN2O4S/c18-13-4-6-14(7-5-13)19-15(21)10-24-17(23)12-25-11-16(22)20-8-2-1-3-9-20/h4-7H,1-3,8-12H2,(H,19,21)
InChIKeyFTUXZKJWMXIRTQ-UHFFFAOYSA-N
XLogP2.57
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.89
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(4-chloroanilino)-2-oxoethyl] 2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetate with MolForge

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Related Compounds

[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate
CID 4786408
Ethyl 6-{2-[(4-chlorophenyl)amino]-2-oxoethyl}-5-oxothiomorpholine-3-carboxylate
CID 581637
[2-Oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(4-chlorophenyl)sulfanylacetate
CID 4783361
N-(4-chlorophenyl)-2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetamide
CID 4798359
[2-(2-Chloro-4-fluoroanilino)-2-oxoethyl] 2-(2-oxo-1,3-thiazolidin-3-yl)acetate
CID 8776702
2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-N-phenylacetamide
CID 535662
[1-[Benzyl(methyl)amino]-1-oxopropan-2-yl] 2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetate
CID 25162901
2-morpholin-4-ylethyl N-(4-chlorophenyl)carbamate
CID 236972
[1-(3-Chloroanilino)-1-oxopropan-2-yl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 16256231
[2-(4-Chloro-2-fluoroanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 24687632
4-(4-Chlorophenyl)-8-(2-methoxyacetyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 46112844
4-(4-Chlorophenyl)morpholin-3-one
CID 53417843

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloroanilino)-2-oxoethyl] 2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetate?
The IUPAC name of [2-(4-chloroanilino)-2-oxoethyl] 2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetate (CID 2612967) is [2-(4-chloroanilino)-2-oxoethyl] 2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetate.
What is the SMILES notation for [2-(4-chloroanilino)-2-oxoethyl] 2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetate?
The canonical SMILES for [2-(4-chloroanilino)-2-oxoethyl] 2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetate is O=C(COC(=O)CSCC(=O)N1CCCCC1)Nc1ccc(Cl)cc1.
What is the InChIKey of [2-(4-chloroanilino)-2-oxoethyl] 2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetate?
The InChIKey is FTUXZKJWMXIRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O4S/c18-13-4-6-14(7-5-13)19-15(21)10-24-17(23)12-25-11-16(22)20-8-2-1-3-9-20/h4-7H,1-3,8-12H2,(H,19,21).
What are the key properties of [2-(4-chloroanilino)-2-oxoethyl] 2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetate?
[2-(4-chloroanilino)-2-oxoethyl] 2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetate has a molecular weight of 384.89 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloroanilino)-2-oxoethyl] 2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetate is sourced from PubChem (CID 2612967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).