N-[1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]-N-methylacetamide

C14H20N2O3S — CID 146128516

IUPACN-[1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]-N-methylacetamide
SMILESCC(=O)N(C)C(C)c1cccc(N2CCCS2(=O)=O)c1
InChIInChI=1S/C14H20N2O3S/c1-11(15(3)12(2)17)13-6-4-7-14(10-13)16-8-5-9-20(16,18)19/h4,6-7,10-11H,5,8-9H2,1-3H3
InChIKeyOGWXYXHAJFLDTA-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.77
Rot. Bonds3

About N-[1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]-N-methylacetamide

N-[1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]-N-methylacetamide (PubChem CID 146128516) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-[1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]-N-methylacetamide
PubChem CID146128516
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-[1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]-N-methylacetamide
SMILESCC(=O)N(C)C(C)c1cccc(N2CCCS2(=O)=O)c1
InChIInChI=1S/C14H20N2O3S/c1-11(15(3)12(2)17)13-6-4-7-14(10-13)16-8-5-9-20(16,18)19/h4,6-7,10-11H,5,8-9H2,1-3H3
InChIKeyOGWXYXHAJFLDTA-UHFFFAOYSA-N
XLogP1.77
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylbenzamide
CID 134004004
N-[(1S)-1-cyclopropylethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylbenzamide
CID 97310886
1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-sulfanylpropane-1,2-diol
CID 170820859
4-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3,4-dihydroxybutanamide
CID 171900157
ethane;2-(3-methylphenyl)-1,2-thiazolidine 1,1-dioxide
CID 166090798
1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-(methylamino)butane-1,2-diol
CID 171891200
(2R)-2-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propanamide
CID 119289907
4-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3,4-dihydroxybutanenitrile
CID 171901948
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethyl-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 95286048
N-[1-[3-(1,1-dioxothiazinan-2-yl)phenyl]ethyl]propan-1-amine
CID 116814547
(1-amino-1-oxopropan-2-yl) 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 46695655
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[1-(4-methylphenyl)ethyl]benzamide
CID 46586730

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]-N-methylacetamide?
The IUPAC name of N-[1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]-N-methylacetamide (CID 146128516) is N-[1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]-N-methylacetamide.
What is the SMILES notation for N-[1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]-N-methylacetamide?
The canonical SMILES for N-[1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]-N-methylacetamide is CC(=O)N(C)C(C)c1cccc(N2CCCS2(=O)=O)c1.
What is the InChIKey of N-[1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]-N-methylacetamide?
The InChIKey is OGWXYXHAJFLDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-11(15(3)12(2)17)13-6-4-7-14(10-13)16-8-5-9-20(16,18)19/h4,6-7,10-11H,5,8-9H2,1-3H3.
What are the key properties of N-[1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]-N-methylacetamide?
N-[1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]-N-methylacetamide has a molecular weight of 296.39 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]-N-methylacetamide is sourced from PubChem (CID 146128516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).