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

C15H16N2O4S — CID 21303411

IUPAC2-[2-ethyl-4-[2-(methylamino)-2-oxoethoxy]-1-benzothiophen-3-yl]-2-oxoacetamide
SMILESCCc1sc2cccc(OCC(=O)NC)c2c1C(=O)C(N)=O
InChIInChI=1S/C15H16N2O4S/c1-3-9-13(14(19)15(16)20)12-8(21-7-11(18)17-2)5-4-6-10(12)22-9/h4-6H,3,7H2,1-2H3,(H2,16,20)(H,17,18)
InChIKeyCDQADWDHCUKZMN-UHFFFAOYSA-N
MW320.37 g/mol
LogP1.26
Rot. Bonds6

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

2-[2-ethyl-4-[2-(methylamino)-2-oxoethoxy]-1-benzothiophen-3-yl]-2-oxoacetamide (PubChem CID 21303411) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is 2-[2-ethyl-4-[2-(methylamino)-2-oxoethoxy]-1-benzothiophen-3-yl]-2-oxoacetamide.

Molecular Properties

Compound Name2-[2-ethyl-4-[2-(methylamino)-2-oxoethoxy]-1-benzothiophen-3-yl]-2-oxoacetamide
PubChem CID21303411
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC Name2-[2-ethyl-4-[2-(methylamino)-2-oxoethoxy]-1-benzothiophen-3-yl]-2-oxoacetamide
SMILESCCc1sc2cccc(OCC(=O)NC)c2c1C(=O)C(N)=O
InChIInChI=1S/C15H16N2O4S/c1-3-9-13(14(19)15(16)20)12-8(21-7-11(18)17-2)5-4-6-10(12)22-9/h4-6H,3,7H2,1-2H3,(H2,16,20)(H,17,18)
InChIKeyCDQADWDHCUKZMN-UHFFFAOYSA-N
XLogP1.26
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-ethyl-4-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethoxy]-1-benzothiophen-3-yl]-2-oxoacetamide
CID 10156515
dimethyl (2R)-2-[[2-[(2-ethyl-3-oxamoyl-1-benzothiophen-4-yl)oxy]acetyl]amino]butanedioate
CID 10114815
2-[(2-ethyl-3-methyl-1-benzothiophen-4-yl)oxy]acetic acid
CID 142104664
2-[2-(methylamino)-2-oxoethoxy]benzamide
CID 2578374
2-[3-[(5-ethylthiophen-2-yl)methylamino]phenoxy]-N-methylacetamide
CID 62345183
2-(2-bromophenoxy)-N-methylacetamide
CID 8024487
ethyl 5-ethyl-4-methyl-2-[(2-naphthalen-1-yloxyacetyl)amino]thiophene-3-carboxylate
CID 7860210
2-amino-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]acetamide
CID 43705402
(3-bromo-2-ethyl-1-benzothiophen-4-yl) acetate
CID 21303419
N-[2-(methylamino)-2-oxoethoxy]-2-phenoxyacetamide
CID 110495620
N-methyl-2-[2-(methylaminomethyl)phenoxy]acetamide
CID 43277188
2-(4-ethylphenoxy)-N-[2-(methylamino)-2-oxoethoxy]acetamide
CID 110495647

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethyl-4-[2-(methylamino)-2-oxoethoxy]-1-benzothiophen-3-yl]-2-oxoacetamide?
The IUPAC name of 2-[2-ethyl-4-[2-(methylamino)-2-oxoethoxy]-1-benzothiophen-3-yl]-2-oxoacetamide (CID 21303411) is 2-[2-ethyl-4-[2-(methylamino)-2-oxoethoxy]-1-benzothiophen-3-yl]-2-oxoacetamide.
What is the SMILES notation for 2-[2-ethyl-4-[2-(methylamino)-2-oxoethoxy]-1-benzothiophen-3-yl]-2-oxoacetamide?
The canonical SMILES for 2-[2-ethyl-4-[2-(methylamino)-2-oxoethoxy]-1-benzothiophen-3-yl]-2-oxoacetamide is CCc1sc2cccc(OCC(=O)NC)c2c1C(=O)C(N)=O.
What is the InChIKey of 2-[2-ethyl-4-[2-(methylamino)-2-oxoethoxy]-1-benzothiophen-3-yl]-2-oxoacetamide?
The InChIKey is CDQADWDHCUKZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-3-9-13(14(19)15(16)20)12-8(21-7-11(18)17-2)5-4-6-10(12)22-9/h4-6H,3,7H2,1-2H3,(H2,16,20)(H,17,18).
What are the key properties of 2-[2-ethyl-4-[2-(methylamino)-2-oxoethoxy]-1-benzothiophen-3-yl]-2-oxoacetamide?
2-[2-ethyl-4-[2-(methylamino)-2-oxoethoxy]-1-benzothiophen-3-yl]-2-oxoacetamide has a molecular weight of 320.37 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethyl-4-[2-(methylamino)-2-oxoethoxy]-1-benzothiophen-3-yl]-2-oxoacetamide is sourced from PubChem (CID 21303411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).