N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide

C16H20N2O4S — CID 51110537

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESCCN(Cc1ccc2c(c1)OCCO2)C(=O)CN1CCSC1=O
InChIInChI=1S/C16H20N2O4S/c1-2-17(15(19)11-18-5-8-23-16(18)20)10-12-3-4-13-14(9-12)22-7-6-21-13/h3-4,9H,2,5-8,10-11H2,1H3
InChIKeyKYKLXDDXDILIMT-UHFFFAOYSA-N
MW336.41 g/mol
LogP1.98
Rot. Bonds5

About N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide (PubChem CID 51110537) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
PubChem CID51110537
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESCCN(Cc1ccc2c(c1)OCCO2)C(=O)CN1CCSC1=O
InChIInChI=1S/C16H20N2O4S/c1-2-17(15(19)11-18-5-8-23-16(18)20)10-12-3-4-13-14(9-12)22-7-6-21-13/h3-4,9H,2,5-8,10-11H2,1H3
InChIKeyKYKLXDDXDILIMT-UHFFFAOYSA-N
XLogP1.98
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethylacetamide
CID 9167348
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 51190126
3-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one
CID 37321212
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-ethylacetamide
CID 20994914
N-(1,3-benzodioxol-5-ylmethyl)-2-cyclopentyl-N-ethylacetamide
CID 78801312
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 9341742
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 25496038
4-chloro-N-[3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(ethyl)amino]-3-oxopropyl]benzamide
CID 18160684
5-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethylthiophene-2-carboxamide
CID 30480240
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-N-(thiophen-2-ylmethyl)acetamide
CID 86978444
2-[cyclopropyl(methylsulfonyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethylacetamide
CID 167985153
3-[2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one
CID 41236885

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide (CID 51110537) is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide is CCN(Cc1ccc2c(c1)OCCO2)C(=O)CN1CCSC1=O.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide?
The InChIKey is KYKLXDDXDILIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-2-17(15(19)11-18-5-8-23-16(18)20)10-12-3-4-13-14(9-12)22-7-6-21-13/h3-4,9H,2,5-8,10-11H2,1H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide has a molecular weight of 336.41 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide is sourced from PubChem (CID 51110537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).