[2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylanilino]-2-oxoethyl] acetate

C14H18N2O5S — CID 7627693

IUPAC[2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylanilino]-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)Nc1ccc(N2CCCS2(=O)=O)cc1C
InChIInChI=1S/C14H18N2O5S/c1-10-8-12(16-6-3-7-22(16,19)20)4-5-13(10)15-14(18)9-21-11(2)17/h4-5,8H,3,6-7,9H2,1-2H3,(H,15,18)
InChIKeyMDEFWTUJXWYGFP-UHFFFAOYSA-N
MW326.37 g/mol
LogP1.04
Rot. Bonds4

About [2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylanilino]-2-oxoethyl] acetate

[2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylanilino]-2-oxoethyl] acetate (PubChem CID 7627693) has the molecular formula C14H18N2O5S and a molecular weight of 326.37 g/mol. Its IUPAC name is [2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylanilino]-2-oxoethyl] acetate.

Molecular Properties

Compound Name[2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylanilino]-2-oxoethyl] acetate
PubChem CID7627693
Molecular FormulaC14H18N2O5S
Molecular Weight326.37 g/mol
Exact Mass326.09
IUPAC Name[2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylanilino]-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)Nc1ccc(N2CCCS2(=O)=O)cc1C
InChIInChI=1S/C14H18N2O5S/c1-10-8-12(16-6-3-7-22(16,19)20)4-5-13(10)15-14(18)9-21-11(2)17/h4-5,8H,3,6-7,9H2,1-2H3,(H,15,18)
InChIKeyMDEFWTUJXWYGFP-UHFFFAOYSA-N
XLogP1.04
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
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
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-2-methoxybenzamide
CID 7627668
ethyl 4-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-4-oxobutanoate
CID 7482878
methyl N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]carbamate
CID 7638849
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]propanamide
CID 47049367
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-2-(3-methoxyphenoxy)acetamide
CID 7482949
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-2-(2-fluorophenoxy)acetamide
CID 7482945
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-2-oxochromene-3-carboxamide
CID 7482980
2-chloro-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-6-fluorobenzamide
CID 7482972
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]-2-(4-methylphenyl)acetamide
CID 47049370

Frequently Asked Questions

What is the IUPAC name of [2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylanilino]-2-oxoethyl] acetate?
The IUPAC name of [2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylanilino]-2-oxoethyl] acetate (CID 7627693) is [2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylanilino]-2-oxoethyl] acetate.
What is the SMILES notation for [2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylanilino]-2-oxoethyl] acetate?
The canonical SMILES for [2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylanilino]-2-oxoethyl] acetate is CC(=O)OCC(=O)Nc1ccc(N2CCCS2(=O)=O)cc1C.
What is the InChIKey of [2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylanilino]-2-oxoethyl] acetate?
The InChIKey is MDEFWTUJXWYGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5S/c1-10-8-12(16-6-3-7-22(16,19)20)4-5-13(10)15-14(18)9-21-11(2)17/h4-5,8H,3,6-7,9H2,1-2H3,(H,15,18).
What are the key properties of [2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylanilino]-2-oxoethyl] acetate?
[2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylanilino]-2-oxoethyl] acetate has a molecular weight of 326.37 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylanilino]-2-oxoethyl] acetate is sourced from PubChem (CID 7627693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).