benzyl 2-[[2-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]amino]acetate

C20H19ClN2O4S — CID 4987875

IUPACbenzyl 2-[[2-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]amino]acetate
SMILESO=C(CN1C(=O)CSC1c1ccc(Cl)cc1)NCC(=O)OCc1ccccc1
InChIInChI=1S/C20H19ClN2O4S/c21-16-8-6-15(7-9-16)20-23(18(25)13-28-20)11-17(24)22-10-19(26)27-12-14-4-2-1-3-5-14/h1-9,20H,10-13H2,(H,22,24)
InChIKeyYEFTZWJIPOCQSP-UHFFFAOYSA-N
MW418.90 g/mol
LogP2.77
Rot. Bonds7

About benzyl 2-[[2-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]amino]acetate

benzyl 2-[[2-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]amino]acetate (PubChem CID 4987875) has the molecular formula C20H19ClN2O4S and a molecular weight of 418.90 g/mol. Its IUPAC name is benzyl 2-[[2-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]amino]acetate.

Molecular Properties

Compound Namebenzyl 2-[[2-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]amino]acetate
PubChem CID4987875
Molecular FormulaC20H19ClN2O4S
Molecular Weight418.90 g/mol
Exact Mass418.08
IUPAC Namebenzyl 2-[[2-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]amino]acetate
SMILESO=C(CN1C(=O)CSC1c1ccc(Cl)cc1)NCC(=O)OCc1ccccc1
InChIInChI=1S/C20H19ClN2O4S/c21-16-8-6-15(7-9-16)20-23(18(25)13-28-20)11-17(24)22-10-19(26)27-12-14-4-2-1-3-5-14/h1-9,20H,10-13H2,(H,22,24)
InChIKeyYEFTZWJIPOCQSP-UHFFFAOYSA-N
XLogP2.77
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.90
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl 2-[[2-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]amino]acetate
CID 3321472
benzyl 2-[[2-[2-(3-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]amino]acetate
CID 3850087
benzyl 2-[[2-[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-3-yl]acetyl]amino]acetate
CID 3835721
methyl 2-[[2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetyl]amino]acetate
CID 23908643
(2S)-3-benzyl-2-(4-chlorophenyl)-1,3-thiazolidin-4-one
CID 674166
4-[3-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]-N-(2-phenylmethoxyethyl)benzamide
CID 133164093
ethyl 2-[[2-[2-(5-methylfuran-2-yl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]amino]acetate
CID 3867158
2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide
CID 10633556
2-(4-oxo-2-phenyl-(213C)1,3-thiazolidin-3-yl)acetamide
CID 10705033
benzyl 2-[[2-(3,6-dimethyl-2-oxopiperazin-1-yl)acetyl]amino]acetate
CID 91343931
2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetic acid
CID 10847476
4-[3-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]-N-(2-methyl-1-phenylpropan-2-yl)benzamide
CID 133202720

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[[2-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]amino]acetate?
The IUPAC name of benzyl 2-[[2-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]amino]acetate (CID 4987875) is benzyl 2-[[2-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]amino]acetate.
What is the SMILES notation for benzyl 2-[[2-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]amino]acetate?
The canonical SMILES for benzyl 2-[[2-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]amino]acetate is O=C(CN1C(=O)CSC1c1ccc(Cl)cc1)NCC(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-[[2-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]amino]acetate?
The InChIKey is YEFTZWJIPOCQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O4S/c21-16-8-6-15(7-9-16)20-23(18(25)13-28-20)11-17(24)22-10-19(26)27-12-14-4-2-1-3-5-14/h1-9,20H,10-13H2,(H,22,24).
What are the key properties of benzyl 2-[[2-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]amino]acetate?
benzyl 2-[[2-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]amino]acetate has a molecular weight of 418.90 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[[2-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]amino]acetate is sourced from PubChem (CID 4987875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).