2-(4-propan-2-ylsulfanylphenyl)-N-(pyridin-4-ylmethyl)acetamide

C17H20N2OS — CID 110771391

IUPAC2-(4-propan-2-ylsulfanylphenyl)-N-(pyridin-4-ylmethyl)acetamide
SMILESCC(C)Sc1ccc(CC(=O)NCc2ccncc2)cc1
InChIInChI=1S/C17H20N2OS/c1-13(2)21-16-5-3-14(4-6-16)11-17(20)19-12-15-7-9-18-10-8-15/h3-10,13H,11-12H2,1-2H3,(H,19,20)
InChIKeyWDTPGQCVSRXSPR-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.44
Rot. Bonds6

About 2-(4-propan-2-ylsulfanylphenyl)-N-(pyridin-4-ylmethyl)acetamide

2-(4-propan-2-ylsulfanylphenyl)-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 110771391) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 2-(4-propan-2-ylsulfanylphenyl)-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-propan-2-ylsulfanylphenyl)-N-(pyridin-4-ylmethyl)acetamide
PubChem CID110771391
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name2-(4-propan-2-ylsulfanylphenyl)-N-(pyridin-4-ylmethyl)acetamide
SMILESCC(C)Sc1ccc(CC(=O)NCc2ccncc2)cc1
InChIInChI=1S/C17H20N2OS/c1-13(2)21-16-5-3-14(4-6-16)11-17(20)19-12-15-7-9-18-10-8-15/h3-10,13H,11-12H2,1-2H3,(H,19,20)
InChIKeyWDTPGQCVSRXSPR-UHFFFAOYSA-N
XLogP3.44
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-propan-2-ylsulfanylphenyl)methyl]pyridine-4-carboxamide;hydrochloride
CID 110784665
2-(4-propan-2-ylsulfanylphenyl)-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]acetamide
CID 91625907
N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 71797521
2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-4-ylmethyl)acetamide
CID 110771435
N-(cyanomethyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 96663358
N-(2-methylpropyl)-2-pyridin-4-ylacetamide
CID 78975326
N'-propan-2-yl-N-(pyridin-4-ylmethyl)propanediamide
CID 108940811
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 119105871
4-propan-2-ylsulfanyl-N-(pyridin-3-ylmethyl)benzamide
CID 47265352
2-iodo-N-(pyridin-4-ylmethyl)acetamide
CID 138478172
N-(2,3-dimethylbutyl)-2-pyridin-4-ylacetamide
CID 122136270
N-[(2S)-2-hydroxy-2-phenylpropyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 95368026

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylsulfanylphenyl)-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-(4-propan-2-ylsulfanylphenyl)-N-(pyridin-4-ylmethyl)acetamide (CID 110771391) is 2-(4-propan-2-ylsulfanylphenyl)-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-propan-2-ylsulfanylphenyl)-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-(4-propan-2-ylsulfanylphenyl)-N-(pyridin-4-ylmethyl)acetamide is CC(C)Sc1ccc(CC(=O)NCc2ccncc2)cc1.
What is the InChIKey of 2-(4-propan-2-ylsulfanylphenyl)-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is WDTPGQCVSRXSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-13(2)21-16-5-3-14(4-6-16)11-17(20)19-12-15-7-9-18-10-8-15/h3-10,13H,11-12H2,1-2H3,(H,19,20).
What are the key properties of 2-(4-propan-2-ylsulfanylphenyl)-N-(pyridin-4-ylmethyl)acetamide?
2-(4-propan-2-ylsulfanylphenyl)-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 300.43 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylsulfanylphenyl)-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 110771391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).