[2-oxo-2-(2-phenylethylamino)ethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate

C18H20N2O4S — CID 2400376

IUPAC[2-oxo-2-(2-phenylethylamino)ethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
SMILESCc1ccc(C(=O)NCC(=O)OCC(=O)NCCc2ccccc2)s1
InChIInChI=1S/C18H20N2O4S/c1-13-7-8-15(25-13)18(23)20-11-17(22)24-12-16(21)19-10-9-14-5-3-2-4-6-14/h2-8H,9-12H2,1H3,(H,19,21)(H,20,23)
InChIKeyASFGQFFATDIDAD-UHFFFAOYSA-N
MW360.44 g/mol
LogP1.69
Rot. Bonds8

About [2-oxo-2-(2-phenylethylamino)ethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate

[2-oxo-2-(2-phenylethylamino)ethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate (PubChem CID 2400376) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is [2-oxo-2-(2-phenylethylamino)ethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenylethylamino)ethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
PubChem CID2400376
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name[2-oxo-2-(2-phenylethylamino)ethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
SMILESCc1ccc(C(=O)NCC(=O)OCC(=O)NCCc2ccccc2)s1
InChIInChI=1S/C18H20N2O4S/c1-13-7-8-15(25-13)18(23)20-11-17(22)24-12-16(21)19-10-9-14-5-3-2-4-6-14/h2-8H,9-12H2,1H3,(H,19,21)(H,20,23)
InChIKeyASFGQFFATDIDAD-UHFFFAOYSA-N
XLogP1.69
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-(2-phenylethylamino)ethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate 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-oxo-2-(2-phenylethylamino)ethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate?
The IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate (CID 2400376) is [2-oxo-2-(2-phenylethylamino)ethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate.
What is the SMILES notation for [2-oxo-2-(2-phenylethylamino)ethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate?
The canonical SMILES for [2-oxo-2-(2-phenylethylamino)ethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate is Cc1ccc(C(=O)NCC(=O)OCC(=O)NCCc2ccccc2)s1.
What is the InChIKey of [2-oxo-2-(2-phenylethylamino)ethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate?
The InChIKey is ASFGQFFATDIDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-13-7-8-15(25-13)18(23)20-11-17(22)24-12-16(21)19-10-9-14-5-3-2-4-6-14/h2-8H,9-12H2,1H3,(H,19,21)(H,20,23).
What are the key properties of [2-oxo-2-(2-phenylethylamino)ethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate?
[2-oxo-2-(2-phenylethylamino)ethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate has a molecular weight of 360.44 g/mol, XLogP of 1.69, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenylethylamino)ethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate is sourced from PubChem (CID 2400376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).