[2-oxo-2-(1-phenylethylamino)ethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate

C18H20N2O4S — CID 4283704

IUPAC[2-oxo-2-(1-phenylethylamino)ethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
SMILESCc1ccc(C(=O)NCC(=O)OCC(=O)NC(C)c2ccccc2)s1
InChIInChI=1S/C18H20N2O4S/c1-12-8-9-15(25-12)18(23)19-10-17(22)24-11-16(21)20-13(2)14-6-4-3-5-7-14/h3-9,13H,10-11H2,1-2H3,(H,19,23)(H,20,21)
InChIKeyDASITOZMSOLMFJ-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.21
Rot. Bonds7

About [2-oxo-2-(1-phenylethylamino)ethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate

[2-oxo-2-(1-phenylethylamino)ethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate (PubChem CID 4283704) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is [2-oxo-2-(1-phenylethylamino)ethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate.

Molecular Properties

Compound Name[2-oxo-2-(1-phenylethylamino)ethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
PubChem CID4283704
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name[2-oxo-2-(1-phenylethylamino)ethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
SMILESCc1ccc(C(=O)NCC(=O)OCC(=O)NC(C)c2ccccc2)s1
InChIInChI=1S/C18H20N2O4S/c1-12-8-9-15(25-12)18(23)19-10-17(22)24-11-16(21)20-13(2)14-6-4-3-5-7-14/h3-9,13H,10-11H2,1-2H3,(H,19,23)(H,20,21)
InChIKeyDASITOZMSOLMFJ-UHFFFAOYSA-N
XLogP2.21
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(1-phenylethylamino)ethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate?
The IUPAC name of [2-oxo-2-(1-phenylethylamino)ethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate (CID 4283704) is [2-oxo-2-(1-phenylethylamino)ethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate.
What is the SMILES notation for [2-oxo-2-(1-phenylethylamino)ethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate?
The canonical SMILES for [2-oxo-2-(1-phenylethylamino)ethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate is Cc1ccc(C(=O)NCC(=O)OCC(=O)NC(C)c2ccccc2)s1.
What is the InChIKey of [2-oxo-2-(1-phenylethylamino)ethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate?
The InChIKey is DASITOZMSOLMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-12-8-9-15(25-12)18(23)19-10-17(22)24-11-16(21)20-13(2)14-6-4-3-5-7-14/h3-9,13H,10-11H2,1-2H3,(H,19,23)(H,20,21).
What are the key properties of [2-oxo-2-(1-phenylethylamino)ethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate?
[2-oxo-2-(1-phenylethylamino)ethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate has a molecular weight of 360.44 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(1-phenylethylamino)ethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate is sourced from PubChem (CID 4283704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).