N-[1-(1-benzothiophen-3-yl)ethyl]-2-(oxolan-2-ylmethoxy)acetamide

C17H21NO3S — CID 56781571

IUPACN-[1-(1-benzothiophen-3-yl)ethyl]-2-(oxolan-2-ylmethoxy)acetamide
SMILESCC(NC(=O)COCC1CCCO1)c1csc2ccccc12
InChIInChI=1S/C17H21NO3S/c1-12(15-11-22-16-7-3-2-6-14(15)16)18-17(19)10-20-9-13-5-4-8-21-13/h2-3,6-7,11-13H,4-5,8-10H2,1H3,(H,18,19)
InChIKeyYPFBMPHGIIAWET-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.27
Rot. Bonds6

About N-[1-(1-benzothiophen-3-yl)ethyl]-2-(oxolan-2-ylmethoxy)acetamide

N-[1-(1-benzothiophen-3-yl)ethyl]-2-(oxolan-2-ylmethoxy)acetamide (PubChem CID 56781571) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-[1-(1-benzothiophen-3-yl)ethyl]-2-(oxolan-2-ylmethoxy)acetamide.

Molecular Properties

Compound NameN-[1-(1-benzothiophen-3-yl)ethyl]-2-(oxolan-2-ylmethoxy)acetamide
PubChem CID56781571
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC NameN-[1-(1-benzothiophen-3-yl)ethyl]-2-(oxolan-2-ylmethoxy)acetamide
SMILESCC(NC(=O)COCC1CCCO1)c1csc2ccccc12
InChIInChI=1S/C17H21NO3S/c1-12(15-11-22-16-7-3-2-6-14(15)16)18-17(19)10-20-9-13-5-4-8-21-13/h2-3,6-7,11-13H,4-5,8-10H2,1H3,(H,18,19)
InChIKeyYPFBMPHGIIAWET-UHFFFAOYSA-N
XLogP3.27
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(oxolan-2-ylmethoxy)-N-propan-2-ylacetamide
CID 129257455
N-[1-(1-benzothiophen-3-yl)ethyl]-3-(oxolan-2-yl)propan-1-amine
CID 68816836
2-[[(2S)-oxan-2-yl]methoxy]-N-(thiophen-3-ylmethyl)acetamide
CID 124854548
[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] (2S)-oxolane-2-carboxylate
CID 8808173
N-[2-(aminomethyl)phenyl]-2-(oxolan-2-ylmethoxy)acetamide
CID 18069772
N-[1-(1-benzothiophen-3-yl)ethyl]prop-2-enamide
CID 139021172
N-[3-(1-methylsulfanylethyl)phenyl]-2-(oxolan-2-ylmethoxy)acetamide
CID 56785834
1-(oxolan-2-ylmethoxy)propan-2-one
CID 43798300
N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-(oxolan-2-ylmethoxy)propanamide
CID 78876204
N-(1-benzylpiperidin-4-yl)-2-[[(2R)-oxolan-2-yl]methoxy]acetamide
CID 164638299
2-(oxolan-2-ylmethoxy)-N-(1,2-thiazol-5-yl)acetamide
CID 126829996
N-(2-carbamothioylphenyl)-2-(oxolan-2-ylmethoxy)acetamide
CID 24702582

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzothiophen-3-yl)ethyl]-2-(oxolan-2-ylmethoxy)acetamide?
The IUPAC name of N-[1-(1-benzothiophen-3-yl)ethyl]-2-(oxolan-2-ylmethoxy)acetamide (CID 56781571) is N-[1-(1-benzothiophen-3-yl)ethyl]-2-(oxolan-2-ylmethoxy)acetamide.
What is the SMILES notation for N-[1-(1-benzothiophen-3-yl)ethyl]-2-(oxolan-2-ylmethoxy)acetamide?
The canonical SMILES for N-[1-(1-benzothiophen-3-yl)ethyl]-2-(oxolan-2-ylmethoxy)acetamide is CC(NC(=O)COCC1CCCO1)c1csc2ccccc12.
What is the InChIKey of N-[1-(1-benzothiophen-3-yl)ethyl]-2-(oxolan-2-ylmethoxy)acetamide?
The InChIKey is YPFBMPHGIIAWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-12(15-11-22-16-7-3-2-6-14(15)16)18-17(19)10-20-9-13-5-4-8-21-13/h2-3,6-7,11-13H,4-5,8-10H2,1H3,(H,18,19).
What are the key properties of N-[1-(1-benzothiophen-3-yl)ethyl]-2-(oxolan-2-ylmethoxy)acetamide?
N-[1-(1-benzothiophen-3-yl)ethyl]-2-(oxolan-2-ylmethoxy)acetamide has a molecular weight of 319.43 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzothiophen-3-yl)ethyl]-2-(oxolan-2-ylmethoxy)acetamide is sourced from PubChem (CID 56781571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).