3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]benzamide

C20H24N2O4S — CID 42333076

IUPAC3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]benzamide
SMILESCCOc1ccc([C@H](C)NC(=O)c2cccc(N3CCCS3(=O)=O)c2)cc1
InChIInChI=1S/C20H24N2O4S/c1-3-26-19-10-8-16(9-11-19)15(2)21-20(23)17-6-4-7-18(14-17)22-12-5-13-27(22,24)25/h4,6-11,14-15H,3,5,12-13H2,1-2H3,(H,21,23)/t15-/m0/s1
InChIKeyQQTKJPUYWWGBFG-HNNXBMFYSA-N
MW388.49 g/mol
LogP3.12
Rot. Bonds6

About 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]benzamide

3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]benzamide (PubChem CID 42333076) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]benzamide
PubChem CID42333076
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]benzamide
SMILESCCOc1ccc([C@H](C)NC(=O)c2cccc(N3CCCS3(=O)=O)c2)cc1
InChIInChI=1S/C20H24N2O4S/c1-3-26-19-10-8-16(9-11-19)15(2)21-20(23)17-6-4-7-18(14-17)22-12-5-13-27(22,24)25/h4,6-11,14-15H,3,5,12-13H2,1-2H3,(H,21,23)/t15-/m0/s1
InChIKeyQQTKJPUYWWGBFG-HNNXBMFYSA-N
XLogP3.12
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[1-(4-methylphenyl)ethyl]benzamide
CID 46586730
N-[1-(4-tert-butylphenyl)ethyl]-3-(1,1-dioxothiazinan-2-yl)benzamide
CID 132664679
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
CID 25493244
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 18591757
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(4-ethoxyphenoxy)phenyl]benzamide
CID 24594691
(2S,3S)-2-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]-3-methylpentanoic acid
CID 119194008
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(4-methoxyphenyl)-phenylmethyl]benzamide
CID 24596783
propan-2-yl 3-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]-3-phenylpropanoate
CID 55494275
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 24592574
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methoxybenzamide
CID 33300897
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(1-phenylethyl)benzamide
CID 18108333
N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]-1H-indole-6-carboxamide
CID 126795841

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]benzamide?
The IUPAC name of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]benzamide (CID 42333076) is 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]benzamide?
The canonical SMILES for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]benzamide is CCOc1ccc([C@H](C)NC(=O)c2cccc(N3CCCS3(=O)=O)c2)cc1.
What is the InChIKey of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]benzamide?
The InChIKey is QQTKJPUYWWGBFG-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-3-26-19-10-8-16(9-11-19)15(2)21-20(23)17-6-4-7-18(14-17)22-12-5-13-27(22,24)25/h4,6-11,14-15H,3,5,12-13H2,1-2H3,(H,21,23)/t15-/m0/s1.
What are the key properties of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]benzamide?
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]benzamide has a molecular weight of 388.49 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 42333076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).