2-(2-cyanophenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzamide

C19H20N2O2S — CID 111436134

IUPAC2-(2-cyanophenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzamide
SMILESCSCC(C)(O)CNC(=O)c1ccccc1-c1ccccc1C#N
InChIInChI=1S/C19H20N2O2S/c1-19(23,13-24-2)12-21-18(22)17-10-6-5-9-16(17)15-8-4-3-7-14(15)11-20/h3-10,23H,12-13H2,1-2H3,(H,21,22)
InChIKeyRZZLSKMFBVLFAE-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.07
Rot. Bonds6

About 2-(2-cyanophenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzamide

2-(2-cyanophenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzamide (PubChem CID 111436134) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 2-(2-cyanophenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzamide.

Molecular Properties

Compound Name2-(2-cyanophenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzamide
PubChem CID111436134
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name2-(2-cyanophenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzamide
SMILESCSCC(C)(O)CNC(=O)c1ccccc1-c1ccccc1C#N
InChIInChI=1S/C19H20N2O2S/c1-19(23,13-24-2)12-21-18(22)17-10-6-5-9-16(17)15-8-4-3-7-14(15)11-20/h3-10,23H,12-13H2,1-2H3,(H,21,22)
InChIKeyRZZLSKMFBVLFAE-UHFFFAOYSA-N
XLogP3.07
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)carbamoyl]benzoic acid
CID 106244371
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,3-dimethylbenzamide
CID 103682088
2-(2-cyanophenyl)sulfanyl-N-(2,2-dimethylpropyl)benzamide
CID 17139487
2-cyano-N-(2-hydroxy-2,5-dimethylhexyl)benzamide
CID 111825762
2-fluoro-N-[2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-2-oxoethyl]benzamide
CID 103711880
5-chloro-2-hydroxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzamide
CID 113245885
N-[(4-chlorophenyl)methyl]-2-(2-cyanophenyl)benzamide
CID 27843819
2-(2-cyanophenyl)-N-[2-[(4-methoxybenzoyl)amino]ethyl]benzamide
CID 55878950
3-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-methoxybenzamide
CID 106242351
2-(2-cyanophenyl)-N-[[4-(dimethylamino)phenyl]methyl]benzamide
CID 26819843
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylsulfanylbenzamide
CID 113239555
2,3,4-trifluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzamide
CID 103738048

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzamide?
The IUPAC name of 2-(2-cyanophenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzamide (CID 111436134) is 2-(2-cyanophenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzamide.
What is the SMILES notation for 2-(2-cyanophenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzamide?
The canonical SMILES for 2-(2-cyanophenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzamide is CSCC(C)(O)CNC(=O)c1ccccc1-c1ccccc1C#N.
What is the InChIKey of 2-(2-cyanophenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzamide?
The InChIKey is RZZLSKMFBVLFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-19(23,13-24-2)12-21-18(22)17-10-6-5-9-16(17)15-8-4-3-7-14(15)11-20/h3-10,23H,12-13H2,1-2H3,(H,21,22).
What are the key properties of 2-(2-cyanophenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzamide?
2-(2-cyanophenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzamide has a molecular weight of 340.45 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzamide is sourced from PubChem (CID 111436134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).