[2-(N-ethylanilino)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate

C18H20N2O4S — CID 2399511

IUPAC[2-(N-ethylanilino)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
SMILESCCN(C(=O)COC(=O)CNC(=O)c1ccc(C)s1)c1ccccc1
InChIInChI=1S/C18H20N2O4S/c1-3-20(14-7-5-4-6-8-14)16(21)12-24-17(22)11-19-18(23)15-10-9-13(2)25-15/h4-10H,3,11-12H2,1-2H3,(H,19,23)
InChIKeyTZNBPZODWXSSHH-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.38
Rot. Bonds7

About [2-(N-ethylanilino)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate

[2-(N-ethylanilino)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate (PubChem CID 2399511) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is [2-(N-ethylanilino)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate.

Molecular Properties

Compound Name[2-(N-ethylanilino)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
PubChem CID2399511
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name[2-(N-ethylanilino)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
SMILESCCN(C(=O)COC(=O)CNC(=O)c1ccc(C)s1)c1ccccc1
InChIInChI=1S/C18H20N2O4S/c1-3-20(14-7-5-4-6-8-14)16(21)12-24-17(22)11-19-18(23)15-10-9-13(2)25-15/h4-10H,3,11-12H2,1-2H3,(H,19,23)
InChIKeyTZNBPZODWXSSHH-UHFFFAOYSA-N
XLogP2.38
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(3-amino-3-oxopropyl)-benzylamino]-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 18276130
[2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 2578701
[2-(N-ethylanilino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 2367156
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 4036905
(2-oxo-2-piperidin-1-ylethyl) 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 35726305
[2-(N-ethylanilino)-2-oxoethyl] 3-phenylpropanoate
CID 2391741
[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate
CID 42976059
[2-(5-methylthiophen-2-yl)-2-oxoethyl] 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate
CID 9066293
[2-(cyclooctylamino)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 4271051
N-ethyl-2-[2-(N-ethylanilino)-2-oxoethoxy]-N-phenylacetamide
CID 52563694
N-[2-(N-ethylanilino)-2-oxoethyl]benzamide
CID 15890379
methyl 3-[methyl-[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]propanoate
CID 61031833

Frequently Asked Questions

What is the IUPAC name of [2-(N-ethylanilino)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate?
The IUPAC name of [2-(N-ethylanilino)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate (CID 2399511) is [2-(N-ethylanilino)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate.
What is the SMILES notation for [2-(N-ethylanilino)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate?
The canonical SMILES for [2-(N-ethylanilino)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate is CCN(C(=O)COC(=O)CNC(=O)c1ccc(C)s1)c1ccccc1.
What is the InChIKey of [2-(N-ethylanilino)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate?
The InChIKey is TZNBPZODWXSSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-3-20(14-7-5-4-6-8-14)16(21)12-24-17(22)11-19-18(23)15-10-9-13(2)25-15/h4-10H,3,11-12H2,1-2H3,(H,19,23).
What are the key properties of [2-(N-ethylanilino)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate?
[2-(N-ethylanilino)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate has a molecular weight of 360.44 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-ethylanilino)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate is sourced from PubChem (CID 2399511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).