2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide

C19H22FNO3S — CID 9427535

IUPAC2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide
SMILESCOc1cc(C)c(CSCC(=O)Nc2ccc(C)c(F)c2)cc1OC
InChIInChI=1S/C19H22FNO3S/c1-12-5-6-15(9-16(12)20)21-19(22)11-25-10-14-8-18(24-4)17(23-3)7-13(14)2/h5-9H,10-11H2,1-4H3,(H,21,22)
InChIKeyLMZDXJXEBDYDHY-UHFFFAOYSA-N
MW363.45 g/mol
LogP4.33
Rot. Bonds7

About 2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide

2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide (PubChem CID 9427535) has the molecular formula C19H22FNO3S and a molecular weight of 363.45 g/mol. Its IUPAC name is 2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide
PubChem CID9427535
Molecular FormulaC19H22FNO3S
Molecular Weight363.45 g/mol
Exact Mass363.13
IUPAC Name2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide
SMILESCOc1cc(C)c(CSCC(=O)Nc2ccc(C)c(F)c2)cc1OC
InChIInChI=1S/C19H22FNO3S/c1-12-5-6-15(9-16(12)20)21-19(22)11-25-10-14-8-18(24-4)17(23-3)7-13(14)2/h5-9H,10-11H2,1-4H3,(H,21,22)
InChIKeyLMZDXJXEBDYDHY-UHFFFAOYSA-N
XLogP4.33
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide
CID 9147597
2-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]sulfanylacetic acid
CID 43237534
2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-N-(4-fluorophenyl)acetamide
CID 8965975
2-[(2-bromo-4,5-dimethoxyphenyl)methylsulfanyl]-N-(3-methylphenyl)acetamide
CID 8970699
2-[2-(3-fluoro-4-methoxyanilino)-2-oxoethyl]sulfanylacetic acid
CID 113427666
N-(3-chloro-2-methylphenyl)-2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetamide
CID 9403978
1-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-methylphenyl)urea
CID 971209
3-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-N-phenylpropanamide
CID 30825636
3-(3,4-dimethoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide
CID 9215674
N-(4-bromophenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide
CID 8965927
N-(3,4-diethoxyphenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide
CID 8966690
2-(2,6-dimethoxyphenoxy)-N-(3-fluoro-4-methylphenyl)acetamide
CID 7612589

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide?
The IUPAC name of 2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide (CID 9427535) is 2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide?
The canonical SMILES for 2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide is COc1cc(C)c(CSCC(=O)Nc2ccc(C)c(F)c2)cc1OC.
What is the InChIKey of 2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide?
The InChIKey is LMZDXJXEBDYDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO3S/c1-12-5-6-15(9-16(12)20)21-19(22)11-25-10-14-8-18(24-4)17(23-3)7-13(14)2/h5-9H,10-11H2,1-4H3,(H,21,22).
What are the key properties of 2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide?
2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide has a molecular weight of 363.45 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide is sourced from PubChem (CID 9427535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).