N-(3-acetylphenyl)-4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide

C23H20N2O4S — CID 1284773

IUPACN-(3-acetylphenyl)-4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccco3)cc2)c1
InChIInChI=1S/C23H20N2O4S/c1-15(26)18-4-2-5-19(12-18)24-22(28)16-7-9-17(10-8-16)23-25(21(27)14-30-23)13-20-6-3-11-29-20/h2-12,23H,13-14H2,1H3,(H,24,28)/t23-/m0/s1
InChIKeyHUEYLWGTHQVEAF-QHCPKHFHSA-N
MW420.49 g/mol
LogP4.51
Rot. Bonds6

About N-(3-acetylphenyl)-4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide

N-(3-acetylphenyl)-4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide (PubChem CID 1284773) has the molecular formula C23H20N2O4S and a molecular weight of 420.49 g/mol. Its IUPAC name is N-(3-acetylphenyl)-4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide
PubChem CID1284773
Molecular FormulaC23H20N2O4S
Molecular Weight420.49 g/mol
Exact Mass420.11
IUPAC NameN-(3-acetylphenyl)-4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccco3)cc2)c1
InChIInChI=1S/C23H20N2O4S/c1-15(26)18-4-2-5-19(12-18)24-22(28)16-7-9-17(10-8-16)23-25(21(27)14-30-23)13-20-6-3-11-29-20/h2-12,23H,13-14H2,1H3,(H,24,28)/t23-/m0/s1
InChIKeyHUEYLWGTHQVEAF-QHCPKHFHSA-N
XLogP4.51
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-difluorophenyl)-4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide
CID 989334
ethyl 4-[[4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzoyl]amino]benzoate
CID 124549933
N-(2,3-dimethylphenyl)-4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide
CID 4033935
N-ethyl-4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide
CID 967750
4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-naphthalen-1-ylbenzamide
CID 41066332
4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(2-methylsulfanylphenyl)benzamide
CID 11837036
N-(2,4-difluorophenyl)-4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide
CID 5203194
4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzoic acid
CID 967754
4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 92684153
methyl 4-chloro-3-[[4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzoyl]amino]benzoate
CID 124551749
N-(2-ethylsulfanylphenyl)-4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide
CID 92675168
4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[(2S)-1-methoxypropan-2-yl]benzamide
CID 7423535

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide?
The IUPAC name of N-(3-acetylphenyl)-4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide (CID 1284773) is N-(3-acetylphenyl)-4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide.
What is the SMILES notation for N-(3-acetylphenyl)-4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide?
The canonical SMILES for N-(3-acetylphenyl)-4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide is CC(=O)c1cccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccco3)cc2)c1.
What is the InChIKey of N-(3-acetylphenyl)-4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide?
The InChIKey is HUEYLWGTHQVEAF-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H20N2O4S/c1-15(26)18-4-2-5-19(12-18)24-22(28)16-7-9-17(10-8-16)23-25(21(27)14-30-23)13-20-6-3-11-29-20/h2-12,23H,13-14H2,1H3,(H,24,28)/t23-/m0/s1.
What are the key properties of N-(3-acetylphenyl)-4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide?
N-(3-acetylphenyl)-4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide has a molecular weight of 420.49 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide is sourced from PubChem (CID 1284773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).