[2-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-2-oxoethyl] 2-methylpropanoate

C15H19ClN2O5S — CID 7482876

IUPAC[2-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-2-oxoethyl] 2-methylpropanoate
SMILESCC(C)C(=O)OCC(=O)Nc1ccc(N2CCCS2(=O)=O)cc1Cl
InChIInChI=1S/C15H19ClN2O5S/c1-10(2)15(20)23-9-14(19)17-13-5-4-11(8-12(13)16)18-6-3-7-24(18,21)22/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,17,19)
InChIKeyADCZVZRBLFJDQD-UHFFFAOYSA-N
MW374.85 g/mol
LogP2.02
Rot. Bonds5

About [2-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-2-oxoethyl] 2-methylpropanoate

[2-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-2-oxoethyl] 2-methylpropanoate (PubChem CID 7482876) has the molecular formula C15H19ClN2O5S and a molecular weight of 374.85 g/mol. Its IUPAC name is [2-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-2-oxoethyl] 2-methylpropanoate.

Molecular Properties

Compound Name[2-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-2-oxoethyl] 2-methylpropanoate
PubChem CID7482876
Molecular FormulaC15H19ClN2O5S
Molecular Weight374.85 g/mol
Exact Mass374.07
IUPAC Name[2-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-2-oxoethyl] 2-methylpropanoate
SMILESCC(C)C(=O)OCC(=O)Nc1ccc(N2CCCS2(=O)=O)cc1Cl
InChIInChI=1S/C15H19ClN2O5S/c1-10(2)15(20)23-9-14(19)17-13-5-4-11(8-12(13)16)18-6-3-7-24(18,21)22/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,17,19)
InChIKeyADCZVZRBLFJDQD-UHFFFAOYSA-N
XLogP2.02
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

ethyl 4-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-4-oxobutanoate
CID 7482878
N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(4-ethoxyphenyl)acetamide
CID 7482855
[2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylanilino]-2-oxoethyl] acetate
CID 7627693
benzyl N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]carbamate
CID 7482889
[2-(2,4-dichloroanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782622
N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propane-2-sulfonamide
CID 7627410
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
2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-methoxybenzamide
CID 110618017
N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propane-1-sulfonamide
CID 7627402
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 24523242
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-2-(3-methoxyphenoxy)acetamide
CID 7482949

Frequently Asked Questions

What is the IUPAC name of [2-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-2-oxoethyl] 2-methylpropanoate?
The IUPAC name of [2-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-2-oxoethyl] 2-methylpropanoate (CID 7482876) is [2-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-2-oxoethyl] 2-methylpropanoate.
What is the SMILES notation for [2-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-2-oxoethyl] 2-methylpropanoate?
The canonical SMILES for [2-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-2-oxoethyl] 2-methylpropanoate is CC(C)C(=O)OCC(=O)Nc1ccc(N2CCCS2(=O)=O)cc1Cl.
What is the InChIKey of [2-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-2-oxoethyl] 2-methylpropanoate?
The InChIKey is ADCZVZRBLFJDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O5S/c1-10(2)15(20)23-9-14(19)17-13-5-4-11(8-12(13)16)18-6-3-7-24(18,21)22/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,17,19).
What are the key properties of [2-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-2-oxoethyl] 2-methylpropanoate?
[2-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-2-oxoethyl] 2-methylpropanoate has a molecular weight of 374.85 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-2-oxoethyl] 2-methylpropanoate is sourced from PubChem (CID 7482876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).