N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide

C19H27N3O4S — CID 2938392

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
SMILESCC/N=C1/SC(CC(=O)NCCc2ccc(OC)c(OC)c2)C(=O)N1CC
InChIInChI=1S/C19H27N3O4S/c1-5-20-19-22(6-2)18(24)16(27-19)12-17(23)21-10-9-13-7-8-14(25-3)15(11-13)26-4/h7-8,11,16H,5-6,9-10,12H2,1-4H3,(H,21,23)/b20-19+
InChIKeyPKQGWJGIBVURJG-FMQUCBEESA-N
MW393.51 g/mol
LogP2.09
Rot. Bonds9

About N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide (PubChem CID 2938392) has the molecular formula C19H27N3O4S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
PubChem CID2938392
Molecular FormulaC19H27N3O4S
Molecular Weight393.51 g/mol
Exact Mass393.17
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
SMILESCC/N=C1/SC(CC(=O)NCCc2ccc(OC)c(OC)c2)C(=O)N1CC
InChIInChI=1S/C19H27N3O4S/c1-5-20-19-22(6-2)18(24)16(27-19)12-17(23)21-10-9-13-7-8-14(25-3)15(11-13)26-4/h7-8,11,16H,5-6,9-10,12H2,1-4H3,(H,21,23)/b20-19+
InChIKeyPKQGWJGIBVURJG-FMQUCBEESA-N
XLogP2.09
TPSA80.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide (CID 2938392) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide is CC/N=C1/SC(CC(=O)NCCc2ccc(OC)c(OC)c2)C(=O)N1CC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
The InChIKey is PKQGWJGIBVURJG-FMQUCBEESA-N. The full InChI is InChI=1S/C19H27N3O4S/c1-5-20-19-22(6-2)18(24)16(27-19)12-17(23)21-10-9-13-7-8-14(25-3)15(11-13)26-4/h7-8,11,16H,5-6,9-10,12H2,1-4H3,(H,21,23)/b20-19+.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide has a molecular weight of 393.51 g/mol, XLogP of 2.09, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide is sourced from PubChem (CID 2938392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).