N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-N-methylbenzamide

C20H20N2O4S — CID 86749175

IUPACN-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-N-methylbenzamide
SMILESCN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)C(=O)c1ccccc1
InChIInChI=1S/C20H20N2O4S/c1-22(19(24)15-5-3-2-4-6-15)11-12-26-16-9-7-14(8-10-16)13-17-18(23)21-20(25)27-17/h2-10,17H,11-13H2,1H3,(H,21,23,25)
InChIKeyHCAJTAZCRCVIOW-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.73
Rot. Bonds7

About N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-N-methylbenzamide

N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-N-methylbenzamide (PubChem CID 86749175) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-N-methylbenzamide
PubChem CID86749175
Molecular FormulaC20H20N2O4S
Molecular Weight384.46 g/mol
Exact Mass384.11
IUPAC NameN-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-N-methylbenzamide
SMILESCN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)C(=O)c1ccccc1
InChIInChI=1S/C20H20N2O4S/c1-22(19(24)15-5-3-2-4-6-15)11-12-26-16-9-7-14(8-10-16)13-17-18(23)21-20(25)27-17/h2-10,17H,11-13H2,1H3,(H,21,23,25)
InChIKeyHCAJTAZCRCVIOW-UHFFFAOYSA-N
XLogP2.73
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

sodium;hydride;2-phenylethyl N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-N-methylcarbamate
CID 173361637
5-[[4-[2-[1H-indol-2-yl(methyl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 141260486
5-[[4-[2-[methyl-(5-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 59411588
(E)-but-2-enedioic acid;5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 6537720
N-[[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]phenyl]methyl]-4-[4-(2-methoxyethoxy)phenyl]-N-methylbenzamide
CID 10393435
N-[[5-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]thiophen-3-yl]methyl]-N-methylbenzamide
CID 11282007
5-[[4-[2-[methyl-(1-oxidopyridin-1-ium-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 44628740
(5R)-5-[[4-[2-[methyl-(5-phenylmethoxy-2-pyridinyl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 95162135
N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 60676178
(5S)-5-[(4-ethoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 130307890
5-[[4-(4-bromobutoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 141462409
CID 171990495
CID 171990495

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-N-methylbenzamide?
The IUPAC name of N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-N-methylbenzamide (CID 86749175) is N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-N-methylbenzamide.
What is the SMILES notation for N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-N-methylbenzamide?
The canonical SMILES for N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-N-methylbenzamide is CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)C(=O)c1ccccc1.
What is the InChIKey of N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-N-methylbenzamide?
The InChIKey is HCAJTAZCRCVIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S/c1-22(19(24)15-5-3-2-4-6-15)11-12-26-16-9-7-14(8-10-16)13-17-18(23)21-20(25)27-17/h2-10,17H,11-13H2,1H3,(H,21,23,25).
What are the key properties of N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-N-methylbenzamide?
N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-N-methylbenzamide has a molecular weight of 384.46 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-N-methylbenzamide is sourced from PubChem (CID 86749175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).