2-[methyl(2-pyridin-4-ylethyl)amino]-1-(4-methylsulfanylphenyl)ethanone

C17H20N2OS — CID 60914564

IUPAC2-[methyl(2-pyridin-4-ylethyl)amino]-1-(4-methylsulfanylphenyl)ethanone
SMILESCSc1ccc(C(=O)CN(C)CCc2ccncc2)cc1
InChIInChI=1S/C17H20N2OS/c1-19(12-9-14-7-10-18-11-8-14)13-17(20)15-3-5-16(21-2)6-4-15/h3-8,10-11H,9,12-13H2,1-2H3
InChIKeyJOLJILFDOVSMLA-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.16
Rot. Bonds7

About 2-[methyl(2-pyridin-4-ylethyl)amino]-1-(4-methylsulfanylphenyl)ethanone

2-[methyl(2-pyridin-4-ylethyl)amino]-1-(4-methylsulfanylphenyl)ethanone (PubChem CID 60914564) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 2-[methyl(2-pyridin-4-ylethyl)amino]-1-(4-methylsulfanylphenyl)ethanone.

Molecular Properties

Compound Name2-[methyl(2-pyridin-4-ylethyl)amino]-1-(4-methylsulfanylphenyl)ethanone
PubChem CID60914564
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name2-[methyl(2-pyridin-4-ylethyl)amino]-1-(4-methylsulfanylphenyl)ethanone
SMILESCSc1ccc(C(=O)CN(C)CCc2ccncc2)cc1
InChIInChI=1S/C17H20N2OS/c1-19(12-9-14-7-10-18-11-8-14)13-17(20)15-3-5-16(21-2)6-4-15/h3-8,10-11H,9,12-13H2,1-2H3
InChIKeyJOLJILFDOVSMLA-UHFFFAOYSA-N
XLogP3.16
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethylphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]ethanone
CID 60913050
1-(4-methylphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-one
CID 62613135
N,N-dimethyl-2-[methyl-[2-(4-methylsulfanylphenyl)-2-oxoethyl]amino]acetamide
CID 62053546
2-[methyl(2-pyridin-4-ylethyl)amino]-1-(1H-pyrrol-2-yl)ethanone
CID 54943540
2-[methyl(2-methylsulfanylethyl)amino]-1-(4-propylphenyl)ethanone
CID 112661909
2-[cyclopentylmethyl(methyl)amino]-1-(4-methylsulfanylphenyl)ethanone
CID 63631436
N-benzyl-N-methyl-2-pyridin-4-ylethanamine
CID 78793254
N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)ethanamine
CID 3817841
N-methyl-3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-pyridin-4-ylethyl)propanamide
CID 109025999
4-methylsulfanyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 78792775
2-(chloromethyl)-N-methyl-N-(2-pyridin-4-ylethyl)prop-2-en-1-amine
CID 103067670
4,4-dimethyl-1-[methyl(2-pyridin-4-ylethyl)amino]pentan-3-one
CID 62624763

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-pyridin-4-ylethyl)amino]-1-(4-methylsulfanylphenyl)ethanone?
The IUPAC name of 2-[methyl(2-pyridin-4-ylethyl)amino]-1-(4-methylsulfanylphenyl)ethanone (CID 60914564) is 2-[methyl(2-pyridin-4-ylethyl)amino]-1-(4-methylsulfanylphenyl)ethanone.
What is the SMILES notation for 2-[methyl(2-pyridin-4-ylethyl)amino]-1-(4-methylsulfanylphenyl)ethanone?
The canonical SMILES for 2-[methyl(2-pyridin-4-ylethyl)amino]-1-(4-methylsulfanylphenyl)ethanone is CSc1ccc(C(=O)CN(C)CCc2ccncc2)cc1.
What is the InChIKey of 2-[methyl(2-pyridin-4-ylethyl)amino]-1-(4-methylsulfanylphenyl)ethanone?
The InChIKey is JOLJILFDOVSMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-19(12-9-14-7-10-18-11-8-14)13-17(20)15-3-5-16(21-2)6-4-15/h3-8,10-11H,9,12-13H2,1-2H3.
What are the key properties of 2-[methyl(2-pyridin-4-ylethyl)amino]-1-(4-methylsulfanylphenyl)ethanone?
2-[methyl(2-pyridin-4-ylethyl)amino]-1-(4-methylsulfanylphenyl)ethanone has a molecular weight of 300.43 g/mol, XLogP of 3.16, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-pyridin-4-ylethyl)amino]-1-(4-methylsulfanylphenyl)ethanone is sourced from PubChem (CID 60914564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).