N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide

C19H22FNO3S — CID 133261844

IUPACN-[1-(2,5-dimethoxyphenyl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)CSCc2ccccc2F)c1
InChIInChI=1S/C19H22FNO3S/c1-13(16-10-15(23-2)8-9-18(16)24-3)21-19(22)12-25-11-14-6-4-5-7-17(14)20/h4-10,13H,11-12H2,1-3H3,(H,21,22)
InChIKeyOAXGPIPFQUMNSJ-UHFFFAOYSA-N
MW363.45 g/mol
LogP3.95
Rot. Bonds8

About N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide

N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide (PubChem CID 133261844) has the molecular formula C19H22FNO3S and a molecular weight of 363.45 g/mol. Its IUPAC name is N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethoxyphenyl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide
PubChem CID133261844
Molecular FormulaC19H22FNO3S
Molecular Weight363.45 g/mol
Exact Mass363.13
IUPAC NameN-[1-(2,5-dimethoxyphenyl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)CSCc2ccccc2F)c1
InChIInChI=1S/C19H22FNO3S/c1-13(16-10-15(23-2)8-9-18(16)24-3)21-19(22)12-25-11-14-6-4-5-7-17(14)20/h4-10,13H,11-12H2,1-3H3,(H,21,22)
InChIKeyOAXGPIPFQUMNSJ-UHFFFAOYSA-N
XLogP3.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 9477708
2-[(2-fluorophenyl)methylsulfanyl]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 133255559
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide
CID 46664023
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-phenylacetamide
CID 40553494
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methylphenyl)sulfanylacetamide
CID 51207601
2-[(2-fluorophenyl)methylsulfanyl]-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide
CID 132654565
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 9478267
2-(4-chloro-2-fluorophenyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 133230731
N-[1-(2,5-dimethylphenyl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide
CID 132651519
3-[[(2S)-2-[[2-(2,5-dimethoxyphenyl)acetyl]amino]-3-methylbutanoyl]amino]-5-[(2-fluorophenyl)methylsulfanyl]-4-oxopentanoic acid
CID 59954194
2-(2,5-dimethoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28560338
N-[1-(2,5-dimethoxyphenyl)ethyl]-3,3-diphenylpropanamide
CID 85019951

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide?
The IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide (CID 133261844) is N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide is COc1ccc(OC)c(C(C)NC(=O)CSCc2ccccc2F)c1.
What is the InChIKey of N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide?
The InChIKey is OAXGPIPFQUMNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO3S/c1-13(16-10-15(23-2)8-9-18(16)24-3)21-19(22)12-25-11-14-6-4-5-7-17(14)20/h4-10,13H,11-12H2,1-3H3,(H,21,22).
What are the key properties of N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide?
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide has a molecular weight of 363.45 g/mol, XLogP of 3.95, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 133261844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).