ethyl 4-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-4-oxobutanoate

C15H19ClN2O5S — CID 7482878

IUPACethyl 4-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)Nc1ccc(N2CCCS2(=O)=O)cc1Cl
InChIInChI=1S/C15H19ClN2O5S/c1-2-23-15(20)7-6-14(19)17-13-5-4-11(10-12(13)16)18-8-3-9-24(18,21)22/h4-5,10H,2-3,6-9H2,1H3,(H,17,19)
InChIKeyMREHDYXUHWYPHV-UHFFFAOYSA-N
MW374.85 g/mol
LogP2.16
Rot. Bonds6

About ethyl 4-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-4-oxobutanoate

ethyl 4-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-4-oxobutanoate (PubChem CID 7482878) has the molecular formula C15H19ClN2O5S and a molecular weight of 374.85 g/mol. Its IUPAC name is ethyl 4-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-4-oxobutanoate
PubChem CID7482878
Molecular FormulaC15H19ClN2O5S
Molecular Weight374.85 g/mol
Exact Mass374.07
IUPAC Nameethyl 4-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)Nc1ccc(N2CCCS2(=O)=O)cc1Cl
InChIInChI=1S/C15H19ClN2O5S/c1-2-23-15(20)7-6-14(19)17-13-5-4-11(10-12(13)16)18-8-3-9-24(18,21)22/h4-5,10H,2-3,6-9H2,1H3,(H,17,19)
InChIKeyMREHDYXUHWYPHV-UHFFFAOYSA-N
XLogP2.16
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-4-oxobutanoate with MolForge

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Related Compounds

[2-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-2-oxoethyl] 2-methylpropanoate
CID 7482876
N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(4-ethoxyphenyl)acetamide
CID 7482855
benzyl N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]carbamate
CID 7482889
ethyl N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]carbamate
CID 7638850
ethyl N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]carbamate
CID 7627634
[2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylanilino]-2-oxoethyl] acetate
CID 7627693
N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propane-1-sulfonamide
CID 7627402
3-chloro-N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 7482859
N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanesulfonamide
CID 7627398
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]butanamide
CID 7638744
2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-methoxybenzamide
CID 110618017
ethyl 4-(4-chloro-2-methylanilino)-4-oxobutanoate
CID 60660611

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-4-oxobutanoate?
The IUPAC name of ethyl 4-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-4-oxobutanoate (CID 7482878) is ethyl 4-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-4-oxobutanoate.
What is the SMILES notation for ethyl 4-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-4-oxobutanoate?
The canonical SMILES for ethyl 4-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-4-oxobutanoate is CCOC(=O)CCC(=O)Nc1ccc(N2CCCS2(=O)=O)cc1Cl.
What is the InChIKey of ethyl 4-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-4-oxobutanoate?
The InChIKey is MREHDYXUHWYPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O5S/c1-2-23-15(20)7-6-14(19)17-13-5-4-11(10-12(13)16)18-8-3-9-24(18,21)22/h4-5,10H,2-3,6-9H2,1H3,(H,17,19).
What are the key properties of ethyl 4-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-4-oxobutanoate?
ethyl 4-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-4-oxobutanoate has a molecular weight of 374.85 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-4-oxobutanoate is sourced from PubChem (CID 7482878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).