N,N-diethyl-5-methoxy-2-(4-methoxy-2-methylsulfanylphenyl)benzamide

C20H25NO3S — CID 170746251

IUPACN,N-diethyl-5-methoxy-2-(4-methoxy-2-methylsulfanylphenyl)benzamide
SMILESCCN(CC)C(=O)c1cc(OC)ccc1-c1ccc(OC)cc1SC
InChIInChI=1S/C20H25NO3S/c1-6-21(7-2)20(22)18-12-14(23-3)8-10-16(18)17-11-9-15(24-4)13-19(17)25-5/h8-13H,6-7H2,1-5H3
InChIKeyOHKMECLMFFMQBF-UHFFFAOYSA-N
MW359.49 g/mol
LogP4.57
Rot. Bonds7

About N,N-diethyl-5-methoxy-2-(4-methoxy-2-methylsulfanylphenyl)benzamide

N,N-diethyl-5-methoxy-2-(4-methoxy-2-methylsulfanylphenyl)benzamide (PubChem CID 170746251) has the molecular formula C20H25NO3S and a molecular weight of 359.49 g/mol. Its IUPAC name is N,N-diethyl-5-methoxy-2-(4-methoxy-2-methylsulfanylphenyl)benzamide.

Molecular Properties

Compound NameN,N-diethyl-5-methoxy-2-(4-methoxy-2-methylsulfanylphenyl)benzamide
PubChem CID170746251
Molecular FormulaC20H25NO3S
Molecular Weight359.49 g/mol
Exact Mass359.16
IUPAC NameN,N-diethyl-5-methoxy-2-(4-methoxy-2-methylsulfanylphenyl)benzamide
SMILESCCN(CC)C(=O)c1cc(OC)ccc1-c1ccc(OC)cc1SC
InChIInChI=1S/C20H25NO3S/c1-6-21(7-2)20(22)18-12-14(23-3)8-10-16(18)17-11-9-15(24-4)13-19(17)25-5/h8-13H,6-7H2,1-5H3
InChIKeyOHKMECLMFFMQBF-UHFFFAOYSA-N
XLogP4.57
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-5-methoxy-2-(4-methoxy-2-methylsulfanylphenyl)benzamide;N,N-dimethylformamide
CID 170746250
2-bromo-N-ethyl-5-methoxy-N-(2-methylpropyl)benzamide
CID 60741091
N-ethyl-2-hydroxy-5-methoxy-N-(2-methylbutyl)benzamide
CID 79470067
2-[[2-(diethylcarbamoyl)-5-methoxyphenyl]diselanyl]-N,N-diethyl-4-methoxybenzamide
CID 135053285
[2-(diethylcarbamoyl)-5-methoxyphenyl]selanyllithium
CID 134891251
S-[2-[2-[1-[ethyl(methyl)amino]ethenyl]-4-methoxyphenyl]-5-methoxyphenyl] N,N-dimethylcarbamothioate
CID 164598165
N,N-diethyl-5-methoxy-1H-indole-3-carboxamide
CID 91755801
N,N-diethyl-3,5-dimethoxy-2-methylbenzamide
CID 12637452
N-(3-amino-2-methylpropyl)-N-ethyl-2-hydroxy-4-methoxybenzamide
CID 54987801
N-(2-chloroethyl)-N-ethyl-2-fluoro-4-methoxybenzamide
CID 102885106
N-(2-amino-2-oxoethyl)-2-bromo-N-ethyl-5-methoxybenzamide
CID 103102621
N-ethyl-2-hydroxy-5-methoxy-N-prop-2-ynylbenzamide
CID 78971160

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-methoxy-2-(4-methoxy-2-methylsulfanylphenyl)benzamide?
The IUPAC name of N,N-diethyl-5-methoxy-2-(4-methoxy-2-methylsulfanylphenyl)benzamide (CID 170746251) is N,N-diethyl-5-methoxy-2-(4-methoxy-2-methylsulfanylphenyl)benzamide.
What is the SMILES notation for N,N-diethyl-5-methoxy-2-(4-methoxy-2-methylsulfanylphenyl)benzamide?
The canonical SMILES for N,N-diethyl-5-methoxy-2-(4-methoxy-2-methylsulfanylphenyl)benzamide is CCN(CC)C(=O)c1cc(OC)ccc1-c1ccc(OC)cc1SC.
What is the InChIKey of N,N-diethyl-5-methoxy-2-(4-methoxy-2-methylsulfanylphenyl)benzamide?
The InChIKey is OHKMECLMFFMQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3S/c1-6-21(7-2)20(22)18-12-14(23-3)8-10-16(18)17-11-9-15(24-4)13-19(17)25-5/h8-13H,6-7H2,1-5H3.
What are the key properties of N,N-diethyl-5-methoxy-2-(4-methoxy-2-methylsulfanylphenyl)benzamide?
N,N-diethyl-5-methoxy-2-(4-methoxy-2-methylsulfanylphenyl)benzamide has a molecular weight of 359.49 g/mol, XLogP of 4.57, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-methoxy-2-(4-methoxy-2-methylsulfanylphenyl)benzamide is sourced from PubChem (CID 170746251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).