[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate

C24H26N2O4S — CID 55386363

IUPAC[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
SMILESCc1csc(=O)n1CCC(=O)OCC(=O)N(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H26N2O4S/c1-19-18-31-24(29)26(19)15-13-23(28)30-17-22(27)25(16-21-10-6-3-7-11-21)14-12-20-8-4-2-5-9-20/h2-11,18H,12-17H2,1H3
InChIKeyROHRFOKCEPLYNY-UHFFFAOYSA-N
MW438.55 g/mol
LogP3.42
Rot. Bonds10

About [2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate

[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate (PubChem CID 55386363) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is [2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate.

Molecular Properties

Compound Name[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
PubChem CID55386363
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC Name[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
SMILESCc1csc(=O)n1CCC(=O)OCC(=O)N(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H26N2O4S/c1-19-18-31-24(29)26(19)15-13-23(28)30-17-22(27)25(16-21-10-6-3-7-11-21)14-12-20-8-4-2-5-9-20/h2-11,18H,12-17H2,1H3
InChIKeyROHRFOKCEPLYNY-UHFFFAOYSA-N
XLogP3.42
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate with MolForge

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Related Compounds

ethyl 4-[benzyl(2-phenylethyl)amino]-4-oxobutanoate
CID 91713662
N-benzyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(4-methylphenyl)propanamide
CID 134007067
[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 2-(2,5-dioxopyrrolidin-1-yl)acetate
CID 55323049
ethyl 3-[2-phenylethyl(propanoyl)amino]propanoate
CID 20621418
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N',N'-diphenylpropanehydrazide
CID 55436719
4-methyl-3-(3-oxo-3-phenylpropyl)-1,3-thiazol-2-one
CID 116691894
N-benzyl-2-methylsulfanyl-N-(2-phenylethyl)acetamide
CID 112791256
(4-aminoquinazolin-2-yl)methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
CID 27923645
N-benzyl-3-phenyl-N-(2-phenylethyl)propanamide
CID 42775856
(1-phenyltetrazol-5-yl)methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
CID 27751738
[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 4-hydroxybenzoate
CID 7477900
ethyl 3-[acetyl(benzyl)amino]propanoate
CID 14922098

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate?
The IUPAC name of [2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate (CID 55386363) is [2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate.
What is the SMILES notation for [2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate?
The canonical SMILES for [2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate is Cc1csc(=O)n1CCC(=O)OCC(=O)N(CCc1ccccc1)Cc1ccccc1.
What is the InChIKey of [2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate?
The InChIKey is ROHRFOKCEPLYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-19-18-31-24(29)26(19)15-13-23(28)30-17-22(27)25(16-21-10-6-3-7-11-21)14-12-20-8-4-2-5-9-20/h2-11,18H,12-17H2,1H3.
What are the key properties of [2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate?
[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate has a molecular weight of 438.55 g/mol, XLogP of 3.42, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate is sourced from PubChem (CID 55386363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).