2-[2,3-dihydro-1-benzothiophen-3-ylmethyl(methyl)amino]-N,N-diethylacetamide

C16H24N2OS — CID 79315662

IUPAC2-[2,3-dihydro-1-benzothiophen-3-ylmethyl(methyl)amino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)CC1CSc2ccccc21
InChIInChI=1S/C16H24N2OS/c1-4-18(5-2)16(19)11-17(3)10-13-12-20-15-9-7-6-8-14(13)15/h6-9,13H,4-5,10-12H2,1-3H3
InChIKeySXZNOLXMLYGMJZ-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.68
Rot. Bonds6

About 2-[2,3-dihydro-1-benzothiophen-3-ylmethyl(methyl)amino]-N,N-diethylacetamide

2-[2,3-dihydro-1-benzothiophen-3-ylmethyl(methyl)amino]-N,N-diethylacetamide (PubChem CID 79315662) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 2-[2,3-dihydro-1-benzothiophen-3-ylmethyl(methyl)amino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[2,3-dihydro-1-benzothiophen-3-ylmethyl(methyl)amino]-N,N-diethylacetamide
PubChem CID79315662
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name2-[2,3-dihydro-1-benzothiophen-3-ylmethyl(methyl)amino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)CC1CSc2ccccc21
InChIInChI=1S/C16H24N2OS/c1-4-18(5-2)16(19)11-17(3)10-13-12-20-15-9-7-6-8-14(13)15/h6-9,13H,4-5,10-12H2,1-3H3
InChIKeySXZNOLXMLYGMJZ-UHFFFAOYSA-N
XLogP2.68
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-[2,3-dihydro-1-benzothiophen-3-ylmethyl(methyl)amino]propanoate
CID 79220753
2-chloro-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-methylethanamine
CID 79226851
ethyl 2-[cyclopropyl(2,3-dihydro-1-benzothiophen-3-ylmethyl)amino]acetate
CID 79221523
ethyl 2-(2,3-dihydro-1-benzothiophen-3-yl)acetate
CID 19081469
1-[[2,3-dihydro-1-benzothiophen-3-ylmethyl(methyl)amino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105416309
2-[[2,3-dihydro-1-benzothiophen-3-ylmethyl(methyl)amino]methyl]aniline
CID 79220802
ethyl 2-amino-3-(2,3-dihydro-1-benzothiophen-3-yl)propanoate
CID 79220875
[(3R)-2,3-dihydro-1-benzothiophen-3-yl]methanol
CID 124511720
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-ethyl-2-methylaniline
CID 79318520
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-ethyl-2-fluoroaniline
CID 79315604
2-[2,3-dihydro-1-benzothiophen-3-ylmethyl(2-methoxyethyl)amino]acetic acid
CID 79221506
N-benzyl-N-ethyl-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide
CID 109398007

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dihydro-1-benzothiophen-3-ylmethyl(methyl)amino]-N,N-diethylacetamide?
The IUPAC name of 2-[2,3-dihydro-1-benzothiophen-3-ylmethyl(methyl)amino]-N,N-diethylacetamide (CID 79315662) is 2-[2,3-dihydro-1-benzothiophen-3-ylmethyl(methyl)amino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[2,3-dihydro-1-benzothiophen-3-ylmethyl(methyl)amino]-N,N-diethylacetamide?
The canonical SMILES for 2-[2,3-dihydro-1-benzothiophen-3-ylmethyl(methyl)amino]-N,N-diethylacetamide is CCN(CC)C(=O)CN(C)CC1CSc2ccccc21.
What is the InChIKey of 2-[2,3-dihydro-1-benzothiophen-3-ylmethyl(methyl)amino]-N,N-diethylacetamide?
The InChIKey is SXZNOLXMLYGMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-4-18(5-2)16(19)11-17(3)10-13-12-20-15-9-7-6-8-14(13)15/h6-9,13H,4-5,10-12H2,1-3H3.
What are the key properties of 2-[2,3-dihydro-1-benzothiophen-3-ylmethyl(methyl)amino]-N,N-diethylacetamide?
2-[2,3-dihydro-1-benzothiophen-3-ylmethyl(methyl)amino]-N,N-diethylacetamide has a molecular weight of 292.45 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-dihydro-1-benzothiophen-3-ylmethyl(methyl)amino]-N,N-diethylacetamide is sourced from PubChem (CID 79315662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).