[2-(benzhydrylamino)-2-oxoethyl] 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoate

C23H24N2O4S — CID 39967368

IUPAC[2-(benzhydrylamino)-2-oxoethyl] 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoate
SMILESCc1csc(=O)n1CCCC(=O)OCC(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24N2O4S/c1-17-16-30-23(28)25(17)14-8-13-21(27)29-15-20(26)24-22(18-9-4-2-5-10-18)19-11-6-3-7-12-19/h2-7,9-12,16,22H,8,13-15H2,1H3,(H,24,26)
InChIKeySWDAEWOHLZNNEQ-UHFFFAOYSA-N
MW424.52 g/mol
LogP3.45
Rot. Bonds9

About [2-(benzhydrylamino)-2-oxoethyl] 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoate

[2-(benzhydrylamino)-2-oxoethyl] 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoate (PubChem CID 39967368) has the molecular formula C23H24N2O4S and a molecular weight of 424.52 g/mol. Its IUPAC name is [2-(benzhydrylamino)-2-oxoethyl] 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoate.

Molecular Properties

Compound Name[2-(benzhydrylamino)-2-oxoethyl] 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoate
PubChem CID39967368
Molecular FormulaC23H24N2O4S
Molecular Weight424.52 g/mol
Exact Mass424.15
IUPAC Name[2-(benzhydrylamino)-2-oxoethyl] 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoate
SMILESCc1csc(=O)n1CCCC(=O)OCC(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24N2O4S/c1-17-16-30-23(28)25(17)14-8-13-21(27)29-15-20(26)24-22(18-9-4-2-5-10-18)19-11-6-3-7-12-19/h2-7,9-12,16,22H,8,13-15H2,1H3,(H,24,26)
InChIKeySWDAEWOHLZNNEQ-UHFFFAOYSA-N
XLogP3.45
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(benzhydrylamino)-2-oxoethyl] 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(benzhydrylamino)-2-oxoethyl] 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoate?
The IUPAC name of [2-(benzhydrylamino)-2-oxoethyl] 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoate (CID 39967368) is [2-(benzhydrylamino)-2-oxoethyl] 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoate.
What is the SMILES notation for [2-(benzhydrylamino)-2-oxoethyl] 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoate?
The canonical SMILES for [2-(benzhydrylamino)-2-oxoethyl] 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoate is Cc1csc(=O)n1CCCC(=O)OCC(=O)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-(benzhydrylamino)-2-oxoethyl] 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoate?
The InChIKey is SWDAEWOHLZNNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S/c1-17-16-30-23(28)25(17)14-8-13-21(27)29-15-20(26)24-22(18-9-4-2-5-10-18)19-11-6-3-7-12-19/h2-7,9-12,16,22H,8,13-15H2,1H3,(H,24,26).
What are the key properties of [2-(benzhydrylamino)-2-oxoethyl] 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoate?
[2-(benzhydrylamino)-2-oxoethyl] 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoate has a molecular weight of 424.52 g/mol, XLogP of 3.45, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzhydrylamino)-2-oxoethyl] 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoate is sourced from PubChem (CID 39967368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).