1-(5-ethylthiophen-2-yl)-2-[methyl(2-pyridin-2-ylethyl)amino]ethanone

C16H20N2OS — CID 43228072

IUPAC1-(5-ethylthiophen-2-yl)-2-[methyl(2-pyridin-2-ylethyl)amino]ethanone
SMILESCCc1ccc(C(=O)CN(C)CCc2ccccn2)s1
InChIInChI=1S/C16H20N2OS/c1-3-14-7-8-16(20-14)15(19)12-18(2)11-9-13-6-4-5-10-17-13/h4-8,10H,3,9,11-12H2,1-2H3
InChIKeyAHBXVMAVZXZGIZ-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.06
Rot. Bonds7

About 1-(5-ethylthiophen-2-yl)-2-[methyl(2-pyridin-2-ylethyl)amino]ethanone

1-(5-ethylthiophen-2-yl)-2-[methyl(2-pyridin-2-ylethyl)amino]ethanone (PubChem CID 43228072) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-2-[methyl(2-pyridin-2-ylethyl)amino]ethanone.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-2-[methyl(2-pyridin-2-ylethyl)amino]ethanone
PubChem CID43228072
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name1-(5-ethylthiophen-2-yl)-2-[methyl(2-pyridin-2-ylethyl)amino]ethanone
SMILESCCc1ccc(C(=O)CN(C)CCc2ccccn2)s1
InChIInChI=1S/C16H20N2OS/c1-3-14-7-8-16(20-14)15(19)12-18(2)11-9-13-6-4-5-10-17-13/h4-8,10H,3,9,11-12H2,1-2H3
InChIKeyAHBXVMAVZXZGIZ-UHFFFAOYSA-N
XLogP3.06
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(5-ethylthiophen-2-yl)-2-[methyl(2-pyridin-2-ylethyl)amino]ethanone with MolForge

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Related Compounds

2-[2-(dimethylamino)ethyl-methylamino]-1-(5-ethylthiophen-2-yl)ethanone
CID 55225801
5-[[methyl(2-pyridin-2-ylethyl)amino]methyl]thiophene-2-carbohydrazide
CID 63573242
1-(2-chlorophenyl)-2-[methyl(2-pyridin-2-ylethyl)amino]ethanone
CID 43228057
2-[methyl(pyridin-2-ylmethyl)amino]-1-(5-methylthiophen-2-yl)ethanone
CID 62052007
1-(3,4-dihydroxyphenyl)-2-[methyl(2-pyridin-2-ylethyl)amino]ethanone
CID 43794216
N-benzyl-N-methyl-2-pyridin-2-ylethanamine;oxalic acid
CID 17384893
1-(5-ethylthiophen-2-yl)-2-[methyl-[(4-methylphenyl)methyl]amino]ethanone
CID 62051366
1-(5-ethylthiophen-2-yl)-4-pyridin-2-ylbutan-2-one
CID 105089327
(E)-N,2-dimethyl-N-(2-pyridin-2-ylethyl)but-2-en-1-amine
CID 757307
N-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine;oxalic acid
CID 2845946
N-methyl-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 21307320
N-[[5-(aminomethyl)furan-2-yl]methyl]-N-methyl-2-pyridin-2-ylethanamine
CID 62419402

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)-2-[methyl(2-pyridin-2-ylethyl)amino]ethanone?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-2-[methyl(2-pyridin-2-ylethyl)amino]ethanone (CID 43228072) is 1-(5-ethylthiophen-2-yl)-2-[methyl(2-pyridin-2-ylethyl)amino]ethanone.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-2-[methyl(2-pyridin-2-ylethyl)amino]ethanone?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-2-[methyl(2-pyridin-2-ylethyl)amino]ethanone is CCc1ccc(C(=O)CN(C)CCc2ccccn2)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-2-[methyl(2-pyridin-2-ylethyl)amino]ethanone?
The InChIKey is AHBXVMAVZXZGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-3-14-7-8-16(20-14)15(19)12-18(2)11-9-13-6-4-5-10-17-13/h4-8,10H,3,9,11-12H2,1-2H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-2-[methyl(2-pyridin-2-ylethyl)amino]ethanone?
1-(5-ethylthiophen-2-yl)-2-[methyl(2-pyridin-2-ylethyl)amino]ethanone has a molecular weight of 288.42 g/mol, XLogP of 3.06, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)-2-[methyl(2-pyridin-2-ylethyl)amino]ethanone is sourced from PubChem (CID 43228072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).