N-[1-(2-methoxyphenyl)ethyl]-2-propan-2-ylsulfanylbenzamide

C19H23NO2S — CID 78771297

IUPACN-[1-(2-methoxyphenyl)ethyl]-2-propan-2-ylsulfanylbenzamide
SMILESCOc1ccccc1C(C)NC(=O)c1ccccc1SC(C)C
InChIInChI=1S/C19H23NO2S/c1-13(2)23-18-12-8-6-10-16(18)19(21)20-14(3)15-9-5-7-11-17(15)22-4/h5-14H,1-4H3,(H,20,21)
InChIKeyACANMPJWTKGGGQ-UHFFFAOYSA-N
MW329.47 g/mol
LogP4.69
Rot. Bonds6

About N-[1-(2-methoxyphenyl)ethyl]-2-propan-2-ylsulfanylbenzamide

N-[1-(2-methoxyphenyl)ethyl]-2-propan-2-ylsulfanylbenzamide (PubChem CID 78771297) has the molecular formula C19H23NO2S and a molecular weight of 329.47 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)ethyl]-2-propan-2-ylsulfanylbenzamide.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)ethyl]-2-propan-2-ylsulfanylbenzamide
PubChem CID78771297
Molecular FormulaC19H23NO2S
Molecular Weight329.47 g/mol
Exact Mass329.14
IUPAC NameN-[1-(2-methoxyphenyl)ethyl]-2-propan-2-ylsulfanylbenzamide
SMILESCOc1ccccc1C(C)NC(=O)c1ccccc1SC(C)C
InChIInChI=1S/C19H23NO2S/c1-13(2)23-18-12-8-6-10-16(18)19(21)20-14(3)15-9-5-7-11-17(15)22-4/h5-14H,1-4H3,(H,20,21)
InChIKeyACANMPJWTKGGGQ-UHFFFAOYSA-N
XLogP4.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(methylamino)benzamide
CID 81390779
N-[(1R)-1-phenylethyl]-2-propan-2-ylsulfanylbenzamide
CID 9172998
2-methoxy-N-[1-(2-methylphenyl)ethyl]benzamide
CID 18111879
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-methylsulfanylbenzamide
CID 18200468
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,5-dimethylbenzamide
CID 2473869
methyl 2-[2-[1-(2-chlorophenyl)ethylcarbamoyl]phenyl]sulfanylpropanoate
CID 55875724
N-[2-(2-methoxyphenyl)ethyl]-2-propan-2-ylsulfanylbenzamide
CID 51151939
2-propan-2-ylsulfanyl-N-[(1S)-1-pyridin-4-ylethyl]benzamide
CID 95375385
N-[1-(2-methoxyphenyl)ethyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide
CID 43043831
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide
CID 99645643
2-fluoro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]benzamide
CID 60794579
2-chloro-4-fluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
CID 26883056

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-2-propan-2-ylsulfanylbenzamide?
The IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-2-propan-2-ylsulfanylbenzamide (CID 78771297) is N-[1-(2-methoxyphenyl)ethyl]-2-propan-2-ylsulfanylbenzamide.
What is the SMILES notation for N-[1-(2-methoxyphenyl)ethyl]-2-propan-2-ylsulfanylbenzamide?
The canonical SMILES for N-[1-(2-methoxyphenyl)ethyl]-2-propan-2-ylsulfanylbenzamide is COc1ccccc1C(C)NC(=O)c1ccccc1SC(C)C.
What is the InChIKey of N-[1-(2-methoxyphenyl)ethyl]-2-propan-2-ylsulfanylbenzamide?
The InChIKey is ACANMPJWTKGGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-13(2)23-18-12-8-6-10-16(18)19(21)20-14(3)15-9-5-7-11-17(15)22-4/h5-14H,1-4H3,(H,20,21).
What are the key properties of N-[1-(2-methoxyphenyl)ethyl]-2-propan-2-ylsulfanylbenzamide?
N-[1-(2-methoxyphenyl)ethyl]-2-propan-2-ylsulfanylbenzamide has a molecular weight of 329.47 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)ethyl]-2-propan-2-ylsulfanylbenzamide is sourced from PubChem (CID 78771297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).