(4-benzylmorpholin-2-yl)methyl 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate

C22H26N2O5S — CID 55479602

IUPAC(4-benzylmorpholin-2-yl)methyl 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
SMILESO=C(OCC1CN(Cc2ccccc2)CCO1)c1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C22H26N2O5S/c25-22(19-7-9-20(10-8-19)24-11-4-14-30(24,26)27)29-17-21-16-23(12-13-28-21)15-18-5-2-1-3-6-18/h1-3,5-10,21H,4,11-17H2
InChIKeyGNPBDXDFYGCCDI-UHFFFAOYSA-N
MW430.53 g/mol
LogP2.28
Rot. Bonds6

About (4-benzylmorpholin-2-yl)methyl 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate

(4-benzylmorpholin-2-yl)methyl 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate (PubChem CID 55479602) has the molecular formula C22H26N2O5S and a molecular weight of 430.53 g/mol. Its IUPAC name is (4-benzylmorpholin-2-yl)methyl 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate.

Molecular Properties

Compound Name(4-benzylmorpholin-2-yl)methyl 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
PubChem CID55479602
Molecular FormulaC22H26N2O5S
Molecular Weight430.53 g/mol
Exact Mass430.16
IUPAC Name(4-benzylmorpholin-2-yl)methyl 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
SMILESO=C(OCC1CN(Cc2ccccc2)CCO1)c1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C22H26N2O5S/c25-22(19-7-9-20(10-8-19)24-11-4-14-30(24,26)27)29-17-21-16-23(12-13-28-21)15-18-5-2-1-3-6-18/h1-3,5-10,21H,4,11-17H2
InChIKeyGNPBDXDFYGCCDI-UHFFFAOYSA-N
XLogP2.28
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R)-4-benzylmorpholin-2-yl]methyl benzoate
CID 54346550
(4-benzylmorpholin-2-yl)methyl 4-(tetrazol-1-yl)benzoate
CID 55325638
(4-benzylmorpholin-2-yl)methyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate
CID 56586482
4-[(4-benzylmorpholin-2-yl)methoxy]benzoic acid
CID 67836991
(4-benzylmorpholin-2-yl)methyl 4-imidazol-1-yl-3-nitrobenzoate
CID 78765888
[(2S)-4-benzylmorpholin-2-yl]methyl 2,5-dimethyl-1,3-thiazole-4-carboxylate
CID 97240581
ethyl 4-[3-(4-benzylmorpholin-2-yl)propoxy]benzoate;hydrochloride
CID 19983193
(4-benzylmorpholin-2-yl)methyl 6-methoxy-1H-indole-2-carboxylate
CID 56586442
(4-benzylmorpholin-2-yl)methyl 1-(4-fluorobenzoyl)piperidine-3-carboxylate
CID 78832355
[(2R)-4-benzylmorpholin-2-yl]methyl (E)-3-(4-chlorophenyl)prop-2-enoate
CID 95250882
(4-benzylmorpholin-2-yl)methyl 3-(2-fluorophenyl)propanoate
CID 55368942
2-amino-3-(4-benzyl-1,4-oxazepan-2-yl)propanoic acid
CID 106491179

Frequently Asked Questions

What is the IUPAC name of (4-benzylmorpholin-2-yl)methyl 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate?
The IUPAC name of (4-benzylmorpholin-2-yl)methyl 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate (CID 55479602) is (4-benzylmorpholin-2-yl)methyl 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate.
What is the SMILES notation for (4-benzylmorpholin-2-yl)methyl 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate?
The canonical SMILES for (4-benzylmorpholin-2-yl)methyl 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate is O=C(OCC1CN(Cc2ccccc2)CCO1)c1ccc(N2CCCS2(=O)=O)cc1.
What is the InChIKey of (4-benzylmorpholin-2-yl)methyl 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate?
The InChIKey is GNPBDXDFYGCCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5S/c25-22(19-7-9-20(10-8-19)24-11-4-14-30(24,26)27)29-17-21-16-23(12-13-28-21)15-18-5-2-1-3-6-18/h1-3,5-10,21H,4,11-17H2.
What are the key properties of (4-benzylmorpholin-2-yl)methyl 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate?
(4-benzylmorpholin-2-yl)methyl 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate has a molecular weight of 430.53 g/mol, XLogP of 2.28, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylmorpholin-2-yl)methyl 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate is sourced from PubChem (CID 55479602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).