4-acetamido-N-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-ethoxybenzamide

C20H20ClN3O4S — CID 3340394

IUPAC4-acetamido-N-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-ethoxybenzamide
SMILESCCOc1cc(NC(C)=O)ccc1C(=O)NN1C(=O)CSC1c1ccccc1Cl
InChIInChI=1S/C20H20ClN3O4S/c1-3-28-17-10-13(22-12(2)25)8-9-15(17)19(27)23-24-18(26)11-29-20(24)14-6-4-5-7-16(14)21/h4-10,20H,3,11H2,1-2H3,(H,22,25)(H,23,27)
InChIKeyQQEWOOVZGMOFOM-UHFFFAOYSA-N
MW433.92 g/mol
LogP3.62
Rot. Bonds6

About 4-acetamido-N-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-ethoxybenzamide

4-acetamido-N-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-ethoxybenzamide (PubChem CID 3340394) has the molecular formula C20H20ClN3O4S and a molecular weight of 433.92 g/mol. Its IUPAC name is 4-acetamido-N-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-ethoxybenzamide.

Molecular Properties

Compound Name4-acetamido-N-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-ethoxybenzamide
PubChem CID3340394
Molecular FormulaC20H20ClN3O4S
Molecular Weight433.92 g/mol
Exact Mass433.09
IUPAC Name4-acetamido-N-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-ethoxybenzamide
SMILESCCOc1cc(NC(C)=O)ccc1C(=O)NN1C(=O)CSC1c1ccccc1Cl
InChIInChI=1S/C20H20ClN3O4S/c1-3-28-17-10-13(22-12(2)25)8-9-15(17)19(27)23-24-18(26)11-29-20(24)14-6-4-5-7-16(14)21/h4-10,20H,3,11H2,1-2H3,(H,22,25)(H,23,27)
InChIKeyQQEWOOVZGMOFOM-UHFFFAOYSA-N
XLogP3.62
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.92
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetamido-N-[(2R,3S)-2-(2-chlorophenyl)-4-oxo-3-phenoxyazetidin-1-yl]-2-ethoxybenzamide
CID 1276915
4-acetamido-N-[(2S,5R)-2-(4-chlorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-2-ethoxybenzamide
CID 1276847
4-acetamido-N-[(2R,3R)-3-chloro-2-(4-methylphenyl)-4-oxoazetidin-1-yl]-2-ethoxybenzamide
CID 9430179
N-(3,4-diethoxyphenyl)acetamide
CID 13120229
N-[4-[[(2S)-2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]acetamide
CID 1084397
2-[(2S)-3-[(2-chlorophenyl)carbamothioylamino]-4-oxo-1,3-thiazolidin-2-yl]benzoate
CID 6979612
methyl 2-acetamido-6-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]hexanoate
CID 3594517
2-chloro-N-[3-[(2S)-3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93126881
N-[4-[(2S)-3-(2-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-fluorobenzamide
CID 93126247
4-acetamido-N-(1-benzylpiperidin-4-yl)-2-phenylmethoxybenzamide
CID 154225250
4-acetamido-2-ethoxy-N-[(3-phenoxyphenyl)methylideneamino]benzamide
CID 1274278
N-[4-[3-(3-ethoxypropyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]acetamide
CID 3847513

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-ethoxybenzamide?
The IUPAC name of 4-acetamido-N-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-ethoxybenzamide (CID 3340394) is 4-acetamido-N-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-ethoxybenzamide.
What is the SMILES notation for 4-acetamido-N-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-ethoxybenzamide?
The canonical SMILES for 4-acetamido-N-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-ethoxybenzamide is CCOc1cc(NC(C)=O)ccc1C(=O)NN1C(=O)CSC1c1ccccc1Cl.
What is the InChIKey of 4-acetamido-N-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-ethoxybenzamide?
The InChIKey is QQEWOOVZGMOFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O4S/c1-3-28-17-10-13(22-12(2)25)8-9-15(17)19(27)23-24-18(26)11-29-20(24)14-6-4-5-7-16(14)21/h4-10,20H,3,11H2,1-2H3,(H,22,25)(H,23,27).
What are the key properties of 4-acetamido-N-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-ethoxybenzamide?
4-acetamido-N-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-ethoxybenzamide has a molecular weight of 433.92 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-ethoxybenzamide is sourced from PubChem (CID 3340394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).