N-[(4-fluoro-3-methylphenyl)methyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide

C20H22FNO2S — CID 24584032

IUPACN-[(4-fluoro-3-methylphenyl)methyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide
SMILESCc1cc(CNC(=O)c2ccccc2SCC2CCCO2)ccc1F
InChIInChI=1S/C20H22FNO2S/c1-14-11-15(8-9-18(14)21)12-22-20(23)17-6-2-3-7-19(17)25-13-16-5-4-10-24-16/h2-3,6-9,11,16H,4-5,10,12-13H2,1H3,(H,22,23)
InChIKeyMTTQXTJKSDZWMW-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.34
Rot. Bonds6

About N-[(4-fluoro-3-methylphenyl)methyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide

N-[(4-fluoro-3-methylphenyl)methyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide (PubChem CID 24584032) has the molecular formula C20H22FNO2S and a molecular weight of 359.47 g/mol. Its IUPAC name is N-[(4-fluoro-3-methylphenyl)methyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-[(4-fluoro-3-methylphenyl)methyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide
PubChem CID24584032
Molecular FormulaC20H22FNO2S
Molecular Weight359.47 g/mol
Exact Mass359.14
IUPAC NameN-[(4-fluoro-3-methylphenyl)methyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide
SMILESCc1cc(CNC(=O)c2ccccc2SCC2CCCO2)ccc1F
InChIInChI=1S/C20H22FNO2S/c1-14-11-15(8-9-18(14)21)12-22-20(23)17-6-2-3-7-19(17)25-13-16-5-4-10-24-16/h2-3,6-9,11,16H,4-5,10,12-13H2,1H3,(H,22,23)
InChIKeyMTTQXTJKSDZWMW-UHFFFAOYSA-N
XLogP4.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxyphenyl)methyl]-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
CID 9400725
N-[[3-(ethylcarbamoyl)phenyl]methyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 55724333
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 56555213
N-(4-chloro-2-fluorophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
CID 9045013
N-(5-fluoro-2-methylphenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
CID 9045083
2-(oxolan-2-ylmethylsulfanyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 55585692
2-(oxolan-2-ylmethylsulfanyl)-N-(2-phenylbutyl)benzamide
CID 43016040
N-(4-acetamidophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
CID 9042411
1-[3-fluoro-4-(oxolan-2-ylmethylsulfanyl)phenyl]-N-methylmethanamine
CID 106496521
N-(6-methyl-2-pyridinyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 42888884
diethyl 5-[[2-(oxolan-2-ylmethylsulfanyl)benzoyl]amino]benzene-1,3-dicarboxylate
CID 55395617
N-[2-(2-methoxyphenoxy)ethyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 46562523

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide?
The IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide (CID 24584032) is N-[(4-fluoro-3-methylphenyl)methyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide.
What is the SMILES notation for N-[(4-fluoro-3-methylphenyl)methyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide?
The canonical SMILES for N-[(4-fluoro-3-methylphenyl)methyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide is Cc1cc(CNC(=O)c2ccccc2SCC2CCCO2)ccc1F.
What is the InChIKey of N-[(4-fluoro-3-methylphenyl)methyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide?
The InChIKey is MTTQXTJKSDZWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO2S/c1-14-11-15(8-9-18(14)21)12-22-20(23)17-6-2-3-7-19(17)25-13-16-5-4-10-24-16/h2-3,6-9,11,16H,4-5,10,12-13H2,1H3,(H,22,23).
What are the key properties of N-[(4-fluoro-3-methylphenyl)methyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide?
N-[(4-fluoro-3-methylphenyl)methyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide has a molecular weight of 359.47 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-methylphenyl)methyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide is sourced from PubChem (CID 24584032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).