N-(2-ethylsulfanylphenyl)-2,6-dimethoxybenzamide

C17H19NO3S — CID 92646111

IUPACN-(2-ethylsulfanylphenyl)-2,6-dimethoxybenzamide
SMILESCCSc1ccccc1NC(=O)c1c(OC)cccc1OC
InChIInChI=1S/C17H19NO3S/c1-4-22-15-11-6-5-8-12(15)18-17(19)16-13(20-2)9-7-10-14(16)21-3/h5-11H,4H2,1-3H3,(H,18,19)
InChIKeyTYOAVZNBHFVVOL-UHFFFAOYSA-N
MW317.41 g/mol
LogP4.07
Rot. Bonds6

About N-(2-ethylsulfanylphenyl)-2,6-dimethoxybenzamide

N-(2-ethylsulfanylphenyl)-2,6-dimethoxybenzamide (PubChem CID 92646111) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-(2-ethylsulfanylphenyl)-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-(2-ethylsulfanylphenyl)-2,6-dimethoxybenzamide
PubChem CID92646111
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC NameN-(2-ethylsulfanylphenyl)-2,6-dimethoxybenzamide
SMILESCCSc1ccccc1NC(=O)c1c(OC)cccc1OC
InChIInChI=1S/C17H19NO3S/c1-4-22-15-11-6-5-8-12(15)18-17(19)16-13(20-2)9-7-10-14(16)21-3/h5-11H,4H2,1-3H3,(H,18,19)
InChIKeyTYOAVZNBHFVVOL-UHFFFAOYSA-N
XLogP4.07
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-6-methoxy-N-(2-methylsulfanylphenyl)benzamide
CID 81420850
N-(2-ethylsulfanylphenyl)-2-methylsulfanylbenzamide
CID 28577649
N-(2-ethylsulfanylphenyl)-2-iodobenzamide
CID 47310864
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-methoxybenzamide
CID 17449163
2-(ethylamino)-N-(2-ethylsulfanylphenyl)benzamide
CID 63107839
N-(2-ethylphenyl)-2-hydroxy-6-methoxybenzamide
CID 84579103
3-(3,4-dimethoxyphenyl)-N-(2-ethylsulfanylphenyl)propanamide
CID 92677216
2-amino-N-(2-ethylsulfanylphenyl)-3-methylbenzamide
CID 61104682
4-ethylsulfanyl-N-(2-methoxyphenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 132918685
(2S)-2-(2,3-dimethylphenoxy)-N-(2-ethylsulfanylphenyl)propanamide
CID 94027584
2,6-dimethoxy-N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide
CID 108933413
(2S)-2-(2-chlorophenoxy)-N-(2-ethylsulfanylphenyl)propanamide
CID 92675918

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfanylphenyl)-2,6-dimethoxybenzamide?
The IUPAC name of N-(2-ethylsulfanylphenyl)-2,6-dimethoxybenzamide (CID 92646111) is N-(2-ethylsulfanylphenyl)-2,6-dimethoxybenzamide.
What is the SMILES notation for N-(2-ethylsulfanylphenyl)-2,6-dimethoxybenzamide?
The canonical SMILES for N-(2-ethylsulfanylphenyl)-2,6-dimethoxybenzamide is CCSc1ccccc1NC(=O)c1c(OC)cccc1OC.
What is the InChIKey of N-(2-ethylsulfanylphenyl)-2,6-dimethoxybenzamide?
The InChIKey is TYOAVZNBHFVVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-4-22-15-11-6-5-8-12(15)18-17(19)16-13(20-2)9-7-10-14(16)21-3/h5-11H,4H2,1-3H3,(H,18,19).
What are the key properties of N-(2-ethylsulfanylphenyl)-2,6-dimethoxybenzamide?
N-(2-ethylsulfanylphenyl)-2,6-dimethoxybenzamide has a molecular weight of 317.41 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfanylphenyl)-2,6-dimethoxybenzamide is sourced from PubChem (CID 92646111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).