2-[2-(1-benzothiophen-5-yl)ethoxy]-N-(1-hydroxy-2-methylpropan-2-yl)acetamide

C16H21NO3S — CID 139922968

IUPAC2-[2-(1-benzothiophen-5-yl)ethoxy]-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
SMILESCC(C)(CO)NC(=O)COCCc1ccc2sccc2c1
InChIInChI=1S/C16H21NO3S/c1-16(2,11-18)17-15(19)10-20-7-5-12-3-4-14-13(9-12)6-8-21-14/h3-4,6,8-9,18H,5,7,10-11H2,1-2H3,(H,17,19)
InChIKeyOWCQWLBTAGGTFE-UHFFFAOYSA-N
MW307.41 g/mol
LogP2.35
Rot. Bonds7

About 2-[2-(1-benzothiophen-5-yl)ethoxy]-N-(1-hydroxy-2-methylpropan-2-yl)acetamide

2-[2-(1-benzothiophen-5-yl)ethoxy]-N-(1-hydroxy-2-methylpropan-2-yl)acetamide (PubChem CID 139922968) has the molecular formula C16H21NO3S and a molecular weight of 307.41 g/mol. Its IUPAC name is 2-[2-(1-benzothiophen-5-yl)ethoxy]-N-(1-hydroxy-2-methylpropan-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-(1-benzothiophen-5-yl)ethoxy]-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
PubChem CID139922968
Molecular FormulaC16H21NO3S
Molecular Weight307.41 g/mol
Exact Mass307.12
IUPAC Name2-[2-(1-benzothiophen-5-yl)ethoxy]-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
SMILESCC(C)(CO)NC(=O)COCCc1ccc2sccc2c1
InChIInChI=1S/C16H21NO3S/c1-16(2,11-18)17-15(19)10-20-7-5-12-3-4-14-13(9-12)6-8-21-14/h3-4,6,8-9,18H,5,7,10-11H2,1-2H3,(H,17,19)
InChIKeyOWCQWLBTAGGTFE-UHFFFAOYSA-N
XLogP2.35
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(1-benzothiophen-5-yl)propoxy]-N,N-diethylacetamide
CID 22666560
2-[2-[2-(1-benzothiophen-5-yl)ethoxy]ethyl-ethylamino]ethanol
CID 22666350
N'-[2-[2-(1-benzothiophen-5-yl)ethoxy]ethyl]-N-methylethane-1,2-diamine
CID 139922986
2-[2-[2-(1-benzothiophen-5-yl)ethoxy]ethyl-benzylamino]ethanol;oxalic acid
CID 22666528
4-methyl-4-[[2-(2-phenylethoxy)acetyl]amino]pentanoic acid
CID 119204238
bis[1-[3-[2-(1-benzothiophen-5-yl)ethoxy]propyl]azetidin-3-yl] 2,3-dihydroxybutanedioate
CID 91127899
1-(1-benzothiophen-5-yl)-2-methylpropan-2-amine
CID 124505719
tert-butyl 4-(1-benzothiophen-5-ylmethyl)piperidine-1-carboxylate
CID 10496741
2-methyl-2-[[2-(2-phenylethoxy)acetyl]amino]propanoic acid
CID 119187691
N-(1-hydroxy-2-methylpropan-2-yl)-3-(4-methoxyphenyl)propanamide
CID 43390565
3-(3-fluoro-4-methoxyphenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
CID 110001057
bis[1-[2-[2-(1-benzothiophen-5-yl)ethoxy]ethyl]pyrrolidin-3-yl] oxalate
CID 66588412

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-benzothiophen-5-yl)ethoxy]-N-(1-hydroxy-2-methylpropan-2-yl)acetamide?
The IUPAC name of 2-[2-(1-benzothiophen-5-yl)ethoxy]-N-(1-hydroxy-2-methylpropan-2-yl)acetamide (CID 139922968) is 2-[2-(1-benzothiophen-5-yl)ethoxy]-N-(1-hydroxy-2-methylpropan-2-yl)acetamide.
What is the SMILES notation for 2-[2-(1-benzothiophen-5-yl)ethoxy]-N-(1-hydroxy-2-methylpropan-2-yl)acetamide?
The canonical SMILES for 2-[2-(1-benzothiophen-5-yl)ethoxy]-N-(1-hydroxy-2-methylpropan-2-yl)acetamide is CC(C)(CO)NC(=O)COCCc1ccc2sccc2c1.
What is the InChIKey of 2-[2-(1-benzothiophen-5-yl)ethoxy]-N-(1-hydroxy-2-methylpropan-2-yl)acetamide?
The InChIKey is OWCQWLBTAGGTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3S/c1-16(2,11-18)17-15(19)10-20-7-5-12-3-4-14-13(9-12)6-8-21-14/h3-4,6,8-9,18H,5,7,10-11H2,1-2H3,(H,17,19).
What are the key properties of 2-[2-(1-benzothiophen-5-yl)ethoxy]-N-(1-hydroxy-2-methylpropan-2-yl)acetamide?
2-[2-(1-benzothiophen-5-yl)ethoxy]-N-(1-hydroxy-2-methylpropan-2-yl)acetamide has a molecular weight of 307.41 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-benzothiophen-5-yl)ethoxy]-N-(1-hydroxy-2-methylpropan-2-yl)acetamide is sourced from PubChem (CID 139922968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).