2-(3-methoxyphenyl)sulfanyl-N-(2-methylpropyl)-N-(pyridin-3-ylmethyl)acetamide

C19H24N2O2S — CID 131924399

IUPAC2-(3-methoxyphenyl)sulfanyl-N-(2-methylpropyl)-N-(pyridin-3-ylmethyl)acetamide
SMILESCOc1cccc(SCC(=O)N(Cc2cccnc2)CC(C)C)c1
InChIInChI=1S/C19H24N2O2S/c1-15(2)12-21(13-16-6-5-9-20-11-16)19(22)14-24-18-8-4-7-17(10-18)23-3/h4-11,15H,12-14H2,1-3H3
InChIKeyDSCIWGAWDMDDNX-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.87
Rot. Bonds8

About 2-(3-methoxyphenyl)sulfanyl-N-(2-methylpropyl)-N-(pyridin-3-ylmethyl)acetamide

2-(3-methoxyphenyl)sulfanyl-N-(2-methylpropyl)-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 131924399) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)sulfanyl-N-(2-methylpropyl)-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)sulfanyl-N-(2-methylpropyl)-N-(pyridin-3-ylmethyl)acetamide
PubChem CID131924399
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name2-(3-methoxyphenyl)sulfanyl-N-(2-methylpropyl)-N-(pyridin-3-ylmethyl)acetamide
SMILESCOc1cccc(SCC(=O)N(Cc2cccnc2)CC(C)C)c1
InChIInChI=1S/C19H24N2O2S/c1-15(2)12-21(13-16-6-5-9-20-11-16)19(22)14-24-18-8-4-7-17(10-18)23-3/h4-11,15H,12-14H2,1-3H3
InChIKeyDSCIWGAWDMDDNX-UHFFFAOYSA-N
XLogP3.87
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxyphenyl)sulfanyl-N-methyl-N-(pyrazin-2-ylmethyl)acetamide
CID 90651685
3-(3-methoxyphenyl)-N-(2-phenylethyl)-N-(pyridin-3-ylmethyl)propanamide
CID 60558316
(2S)-2-(3-methoxyphenyl)sulfanyl-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 95252902
N-(4-methoxyphenyl)-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 110360592
N-[(6-methoxynaphthalen-2-yl)methyl]-2-(3-methoxyphenyl)sulfanyl-N-methylacetamide
CID 35041609
N-(3-amino-2,2-dimethylpropyl)-2-(3-methoxyphenyl)sulfanyl-N-methylacetamide;hydrochloride
CID 119656300
2-(3-methoxyphenyl)sulfanyl-N-(2-methylphenyl)-N-propan-2-ylacetamide
CID 86893364
2-(2,5-dimethoxyphenyl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 78806852
1-(3-methoxyphenyl)-3-pyridin-3-ylpropan-2-one
CID 62621028
N-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-2-(3-methoxyphenyl)sulfanyl-N-methylacetamide
CID 97260253
1-(3-methoxyphenyl)-N'-methyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 43563312
1-(3-methoxyphenyl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
CID 60650680

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)sulfanyl-N-(2-methylpropyl)-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-(3-methoxyphenyl)sulfanyl-N-(2-methylpropyl)-N-(pyridin-3-ylmethyl)acetamide (CID 131924399) is 2-(3-methoxyphenyl)sulfanyl-N-(2-methylpropyl)-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-methoxyphenyl)sulfanyl-N-(2-methylpropyl)-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(3-methoxyphenyl)sulfanyl-N-(2-methylpropyl)-N-(pyridin-3-ylmethyl)acetamide is COc1cccc(SCC(=O)N(Cc2cccnc2)CC(C)C)c1.
What is the InChIKey of 2-(3-methoxyphenyl)sulfanyl-N-(2-methylpropyl)-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is DSCIWGAWDMDDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-15(2)12-21(13-16-6-5-9-20-11-16)19(22)14-24-18-8-4-7-17(10-18)23-3/h4-11,15H,12-14H2,1-3H3.
What are the key properties of 2-(3-methoxyphenyl)sulfanyl-N-(2-methylpropyl)-N-(pyridin-3-ylmethyl)acetamide?
2-(3-methoxyphenyl)sulfanyl-N-(2-methylpropyl)-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 344.48 g/mol, XLogP of 3.87, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)sulfanyl-N-(2-methylpropyl)-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 131924399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).