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

C23H22N2O3S — CID 4033935

IUPACN-(2,3-dimethylphenyl)-4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide
SMILESCc1cccc(NC(=O)c2ccc(C3SCC(=O)N3Cc3ccco3)cc2)c1C
InChIInChI=1S/C23H22N2O3S/c1-15-5-3-7-20(16(15)2)24-22(27)17-8-10-18(11-9-17)23-25(21(26)14-29-23)13-19-6-4-12-28-19/h3-12,23H,13-14H2,1-2H3,(H,24,27)
InChIKeyPQHHJCHAAXWIAB-UHFFFAOYSA-N
MW406.51 g/mol
LogP4.92
Rot. Bonds5

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

N-(2,3-dimethylphenyl)-4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide (PubChem CID 4033935) has the molecular formula C23H22N2O3S and a molecular weight of 406.51 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide
PubChem CID4033935
Molecular FormulaC23H22N2O3S
Molecular Weight406.51 g/mol
Exact Mass406.14
IUPAC NameN-(2,3-dimethylphenyl)-4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide
SMILESCc1cccc(NC(=O)c2ccc(C3SCC(=O)N3Cc3ccco3)cc2)c1C
InChIInChI=1S/C23H22N2O3S/c1-15-5-3-7-20(16(15)2)24-22(27)17-8-10-18(11-9-17)23-25(21(26)14-29-23)13-19-6-4-12-28-19/h3-12,23H,13-14H2,1-2H3,(H,24,27)
InChIKeyPQHHJCHAAXWIAB-UHFFFAOYSA-N
XLogP4.92
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-ethylsulfanylphenyl)-4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide
CID 92675168
N-(2,6-difluorophenyl)-4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide
CID 989334
N-(3-acetylphenyl)-4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide
CID 1284773
N-ethyl-4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide
CID 967750
N-(2,4-difluorophenyl)-4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide
CID 5203194
ethyl 4-[[4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzoyl]amino]benzoate
CID 124549933
methyl 4-chloro-3-[[4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzoyl]amino]benzoate
CID 124551749
4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzoic acid
CID 967754
4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-(2-methylphenyl)benzamide
CID 1245454
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-(2,3-dimethylphenyl)-4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide?
The IUPAC name of N-(2,3-dimethylphenyl)-4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide (CID 4033935) is N-(2,3-dimethylphenyl)-4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide is Cc1cccc(NC(=O)c2ccc(C3SCC(=O)N3Cc3ccco3)cc2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide?
The InChIKey is PQHHJCHAAXWIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3S/c1-15-5-3-7-20(16(15)2)24-22(27)17-8-10-18(11-9-17)23-25(21(26)14-29-23)13-19-6-4-12-28-19/h3-12,23H,13-14H2,1-2H3,(H,24,27).
What are the key properties of N-(2,3-dimethylphenyl)-4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide?
N-(2,3-dimethylphenyl)-4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide has a molecular weight of 406.51 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide is sourced from PubChem (CID 4033935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).