ethyl 5-[[4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)benzoyl]amino]-2-chlorobenzoate

C26H23ClN2O4S — CID 43908576

IUPACethyl 5-[[4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)benzoyl]amino]-2-chlorobenzoate
SMILESCCOC(=O)c1cc(NC(=O)c2ccc(C3SCC(=O)N3Cc3ccccc3)cc2)ccc1Cl
InChIInChI=1S/C26H23ClN2O4S/c1-2-33-26(32)21-14-20(12-13-22(21)27)28-24(31)18-8-10-19(11-9-18)25-29(23(30)16-34-25)15-17-6-4-3-5-7-17/h3-14,25H,2,15-16H2,1H3,(H,28,31)
InChIKeyJFBXHGOTBXVPJY-UHFFFAOYSA-N
MW495.00 g/mol
LogP5.54
Rot. Bonds7

About ethyl 5-[[4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)benzoyl]amino]-2-chlorobenzoate

ethyl 5-[[4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)benzoyl]amino]-2-chlorobenzoate (PubChem CID 43908576) has the molecular formula C26H23ClN2O4S and a molecular weight of 495.00 g/mol. Its IUPAC name is ethyl 5-[[4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)benzoyl]amino]-2-chlorobenzoate.

Molecular Properties

Compound Nameethyl 5-[[4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)benzoyl]amino]-2-chlorobenzoate
PubChem CID43908576
Molecular FormulaC26H23ClN2O4S
Molecular Weight495.00 g/mol
Exact Mass494.11
IUPAC Nameethyl 5-[[4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)benzoyl]amino]-2-chlorobenzoate
SMILESCCOC(=O)c1cc(NC(=O)c2ccc(C3SCC(=O)N3Cc3ccccc3)cc2)ccc1Cl
InChIInChI=1S/C26H23ClN2O4S/c1-2-33-26(32)21-14-20(12-13-22(21)27)28-24(31)18-8-10-19(11-9-18)25-29(23(30)16-34-25)15-17-6-4-3-5-7-17/h3-14,25H,2,15-16H2,1H3,(H,28,31)
InChIKeyJFBXHGOTBXVPJY-UHFFFAOYSA-N
XLogP5.54
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.00
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 5-[[4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)benzoyl]amino]-2-chlorobenzoate with MolForge

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Related Compounds

ethyl 2-chloro-4-[[4-[3-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]benzoyl]amino]benzoate
CID 46772829
4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]benzamide
CID 99946733
N-(1,3-benzodioxol-5-yl)-4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]benzamide
CID 1142825
ethyl 2-[[4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 126125090
4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-(2-methylphenyl)benzamide
CID 1245454
4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-(2-ethoxyphenyl)benzamide
CID 3138297
ethyl 4-[[4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzoyl]amino]benzoate
CID 124549933
4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 100500311
methyl 4-[[4-[(2R)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzoyl]amino]benzoate
CID 982903
N-(4-ethoxyphenyl)-4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
CID 5053317
N-[(Z)-1-(4-benzamidophenyl)ethylideneamino]-4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]benzamide
CID 126191619
N-[4-(1-adamantyl)phenyl]-4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]benzamide
CID 126034356

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)benzoyl]amino]-2-chlorobenzoate?
The IUPAC name of ethyl 5-[[4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)benzoyl]amino]-2-chlorobenzoate (CID 43908576) is ethyl 5-[[4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)benzoyl]amino]-2-chlorobenzoate.
What is the SMILES notation for ethyl 5-[[4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)benzoyl]amino]-2-chlorobenzoate?
The canonical SMILES for ethyl 5-[[4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)benzoyl]amino]-2-chlorobenzoate is CCOC(=O)c1cc(NC(=O)c2ccc(C3SCC(=O)N3Cc3ccccc3)cc2)ccc1Cl.
What is the InChIKey of ethyl 5-[[4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)benzoyl]amino]-2-chlorobenzoate?
The InChIKey is JFBXHGOTBXVPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN2O4S/c1-2-33-26(32)21-14-20(12-13-22(21)27)28-24(31)18-8-10-19(11-9-18)25-29(23(30)16-34-25)15-17-6-4-3-5-7-17/h3-14,25H,2,15-16H2,1H3,(H,28,31).
What are the key properties of ethyl 5-[[4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)benzoyl]amino]-2-chlorobenzoate?
ethyl 5-[[4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)benzoyl]amino]-2-chlorobenzoate has a molecular weight of 495.00 g/mol, XLogP of 5.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)benzoyl]amino]-2-chlorobenzoate is sourced from PubChem (CID 43908576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).