2-[2-ethyl-4-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethoxy]-1-benzothiophen-3-yl]-2-oxoacetamide

C18H22N2O5S — CID 10156515

IUPAC2-[2-ethyl-4-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethoxy]-1-benzothiophen-3-yl]-2-oxoacetamide
SMILESCCc1sc2cccc(OCC(=O)NOC(C)(C)C)c2c1C(=O)C(N)=O
InChIInChI=1S/C18H22N2O5S/c1-5-11-15(16(22)17(19)23)14-10(7-6-8-12(14)26-11)24-9-13(21)20-25-18(2,3)4/h6-8H,5,9H2,1-4H3,(H2,19,23)(H,20,21)
InChIKeyJEEPIYDDDVMHHK-UHFFFAOYSA-N
MW378.45 g/mol
LogP2.36
Rot. Bonds7

About 2-[2-ethyl-4-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethoxy]-1-benzothiophen-3-yl]-2-oxoacetamide

2-[2-ethyl-4-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethoxy]-1-benzothiophen-3-yl]-2-oxoacetamide (PubChem CID 10156515) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is 2-[2-ethyl-4-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethoxy]-1-benzothiophen-3-yl]-2-oxoacetamide.

Molecular Properties

Compound Name2-[2-ethyl-4-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethoxy]-1-benzothiophen-3-yl]-2-oxoacetamide
PubChem CID10156515
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC Name2-[2-ethyl-4-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethoxy]-1-benzothiophen-3-yl]-2-oxoacetamide
SMILESCCc1sc2cccc(OCC(=O)NOC(C)(C)C)c2c1C(=O)C(N)=O
InChIInChI=1S/C18H22N2O5S/c1-5-11-15(16(22)17(19)23)14-10(7-6-8-12(14)26-11)24-9-13(21)20-25-18(2,3)4/h6-8H,5,9H2,1-4H3,(H2,19,23)(H,20,21)
InChIKeyJEEPIYDDDVMHHK-UHFFFAOYSA-N
XLogP2.36
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-ethyl-4-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethoxy]-1-benzothiophen-3-yl]-2-oxoacetamide?
The IUPAC name of 2-[2-ethyl-4-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethoxy]-1-benzothiophen-3-yl]-2-oxoacetamide (CID 10156515) is 2-[2-ethyl-4-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethoxy]-1-benzothiophen-3-yl]-2-oxoacetamide.
What is the SMILES notation for 2-[2-ethyl-4-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethoxy]-1-benzothiophen-3-yl]-2-oxoacetamide?
The canonical SMILES for 2-[2-ethyl-4-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethoxy]-1-benzothiophen-3-yl]-2-oxoacetamide is CCc1sc2cccc(OCC(=O)NOC(C)(C)C)c2c1C(=O)C(N)=O.
What is the InChIKey of 2-[2-ethyl-4-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethoxy]-1-benzothiophen-3-yl]-2-oxoacetamide?
The InChIKey is JEEPIYDDDVMHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-5-11-15(16(22)17(19)23)14-10(7-6-8-12(14)26-11)24-9-13(21)20-25-18(2,3)4/h6-8H,5,9H2,1-4H3,(H2,19,23)(H,20,21).
What are the key properties of 2-[2-ethyl-4-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethoxy]-1-benzothiophen-3-yl]-2-oxoacetamide?
2-[2-ethyl-4-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethoxy]-1-benzothiophen-3-yl]-2-oxoacetamide has a molecular weight of 378.45 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethyl-4-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethoxy]-1-benzothiophen-3-yl]-2-oxoacetamide is sourced from PubChem (CID 10156515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).