N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide

C17H20N2O2S — CID 111119811

IUPACN-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
SMILESCc1ccccc1C(O)CNC(=O)CSCc1cccnc1
InChIInChI=1S/C17H20N2O2S/c1-13-5-2-3-7-15(13)16(20)10-19-17(21)12-22-11-14-6-4-8-18-9-14/h2-9,16,20H,10-12H2,1H3,(H,19,21)
InChIKeyQGOZVIQBFDICKD-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.47
Rot. Bonds7

About N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide

N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide (PubChem CID 111119811) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
PubChem CID111119811
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC NameN-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
SMILESCc1ccccc1C(O)CNC(=O)CSCc1cccnc1
InChIInChI=1S/C17H20N2O2S/c1-13-5-2-3-7-15(13)16(20)10-19-17(21)12-22-11-14-6-4-8-18-9-14/h2-9,16,20H,10-12H2,1H3,(H,19,21)
InChIKeyQGOZVIQBFDICKD-UHFFFAOYSA-N
XLogP2.47
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(3-methylbutylsulfanyl)acetamide
CID 111119954
1-(2-methylphenyl)-2-pyridin-3-ylethanol
CID 62551193
N-[2-(2-methylphenyl)-3-pyridin-3-ylpropyl]propanamide
CID 110361067
N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-(pyridin-4-ylmethylsulfanyl)acetamide
CID 47081512
2-benzylsulfanyl-N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]acetamide
CID 97414049
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(methylamino)acetamide
CID 119784439
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-4-methylpentanamide
CID 111119754
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-pyridin-3-ylpropanamide
CID 111566159
1-[1-(2-methylphenyl)ethyl]-3-(pyridin-3-ylmethyl)urea
CID 47014443
N-[2-hydroxy-2-(2-methylphenyl)ethyl]prop-2-enamide
CID 166405126
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 111120044
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(2-methylpropyl)urea
CID 111119518

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide?
The IUPAC name of N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide (CID 111119811) is N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide is Cc1ccccc1C(O)CNC(=O)CSCc1cccnc1.
What is the InChIKey of N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide?
The InChIKey is QGOZVIQBFDICKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-13-5-2-3-7-15(13)16(20)10-19-17(21)12-22-11-14-6-4-8-18-9-14/h2-9,16,20H,10-12H2,1H3,(H,19,21).
What are the key properties of N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide?
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide has a molecular weight of 316.43 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 111119811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).