N-ethyl-4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide

C20H22N2O2S — CID 4998334

IUPACN-ethyl-4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
SMILESCCNC(=O)c1ccc(C2SCC(=O)N2CCc2ccccc2)cc1
InChIInChI=1S/C20H22N2O2S/c1-2-21-19(24)16-8-10-17(11-9-16)20-22(18(23)14-25-20)13-12-15-6-4-3-5-7-15/h3-11,20H,2,12-14H2,1H3,(H,21,24)
InChIKeyLTPUQMAREQHIPD-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.25
Rot. Bonds6

About N-ethyl-4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide

N-ethyl-4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide (PubChem CID 4998334) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is N-ethyl-4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide.

Molecular Properties

Compound NameN-ethyl-4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
PubChem CID4998334
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC NameN-ethyl-4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
SMILESCCNC(=O)c1ccc(C2SCC(=O)N2CCc2ccccc2)cc1
InChIInChI=1S/C20H22N2O2S/c1-2-21-19(24)16-8-10-17(11-9-16)20-22(18(23)14-25-20)13-12-15-6-4-3-5-7-15/h3-11,20H,2,12-14H2,1H3,(H,21,24)
InChIKeyLTPUQMAREQHIPD-UHFFFAOYSA-N
XLogP3.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide?
The IUPAC name of N-ethyl-4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide (CID 4998334) is N-ethyl-4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide.
What is the SMILES notation for N-ethyl-4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide?
The canonical SMILES for N-ethyl-4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide is CCNC(=O)c1ccc(C2SCC(=O)N2CCc2ccccc2)cc1.
What is the InChIKey of N-ethyl-4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide?
The InChIKey is LTPUQMAREQHIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-2-21-19(24)16-8-10-17(11-9-16)20-22(18(23)14-25-20)13-12-15-6-4-3-5-7-15/h3-11,20H,2,12-14H2,1H3,(H,21,24).
What are the key properties of N-ethyl-4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide?
N-ethyl-4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide has a molecular weight of 354.48 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide is sourced from PubChem (CID 4998334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).