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

C18H18N2O2S — CID 17201042

IUPAC4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
SMILESNC(=O)c1ccc(C2SCC(=O)N2CCc2ccccc2)cc1
InChIInChI=1S/C18H18N2O2S/c19-17(22)14-6-8-15(9-7-14)18-20(16(21)12-23-18)11-10-13-4-2-1-3-5-13/h1-9,18H,10-12H2,(H2,19,22)
InChIKeyXJYUDVVGZWINFL-UHFFFAOYSA-N
MW326.42 g/mol
LogP2.60
Rot. Bonds5

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

4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide (PubChem CID 17201042) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is 4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide.

Molecular Properties

Compound Name4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
PubChem CID17201042
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
SMILESNC(=O)c1ccc(C2SCC(=O)N2CCc2ccccc2)cc1
InChIInChI=1S/C18H18N2O2S/c19-17(22)14-6-8-15(9-7-14)18-20(16(21)12-23-18)11-10-13-4-2-1-3-5-13/h1-9,18H,10-12H2,(H2,19,22)
InChIKeyXJYUDVVGZWINFL-UHFFFAOYSA-N
XLogP2.60
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(Pyrrolidine-1-carbonyl)phenyl]methanamine
CID 16227894
1-(4-{[(4-Methylphenyl)thio]methyl}benzoyl)pyrrolidine
CID 961999
3-Benzyl-2-(4-methylphenyl)-1,3-thiazolidin-4-one
CID 3470012
4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-(3-ethoxypropyl)benzamide
CID 4059372
N-benzyl-4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)benzamide
CID 2883426
3-(4-Methylbenzoyl)-1,3-thiazolidine-2-thione
CID 783805
3-Benzoylthiazolidine-2-thione
CID 839954
(4-Methylphenyl)-thiomorpholin-4-ylmethanone
CID 1251524
2-[(2-benzyl-3-oxo-2,3-dihydro-1H-isoindol-1-yl)sulfanyl]acetic acid
CID 2998770
[1,1'-Biphenyl]-4-carboxamide, N-[5-[(mercaptoacetyl)amino]pentyl]-
CID 11772694
N-[3-(2-Sulfanylacetamido)propyl][1,1'-biphenyl]-4-carboxamide
CID 44389601
4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-hydroxybenzamide
CID 156900838

Frequently Asked Questions

What is the IUPAC name of 4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide?
The IUPAC name of 4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide (CID 17201042) is 4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide.
What is the SMILES notation for 4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide?
The canonical SMILES for 4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide is NC(=O)c1ccc(C2SCC(=O)N2CCc2ccccc2)cc1.
What is the InChIKey of 4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide?
The InChIKey is XJYUDVVGZWINFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c19-17(22)14-6-8-15(9-7-14)18-20(16(21)12-23-18)11-10-13-4-2-1-3-5-13/h1-9,18H,10-12H2,(H2,19,22).
What are the key properties of 4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide?
4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide has a molecular weight of 326.42 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide is sourced from PubChem (CID 17201042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).