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

C19H22FNOS — CID 132651519

IUPACN-[1-(2,5-dimethylphenyl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide
SMILESCc1ccc(C)c(C(C)NC(=O)CSCc2ccccc2F)c1
InChIInChI=1S/C19H22FNOS/c1-13-8-9-14(2)17(10-13)15(3)21-19(22)12-23-11-16-6-4-5-7-18(16)20/h4-10,15H,11-12H2,1-3H3,(H,21,22)
InChIKeyRPNXWEZTQNQZTA-UHFFFAOYSA-N
MW331.46 g/mol
LogP4.55
Rot. Bonds6

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

N-[1-(2,5-dimethylphenyl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide (PubChem CID 132651519) has the molecular formula C19H22FNOS and a molecular weight of 331.46 g/mol. Its IUPAC name is N-[1-(2,5-dimethylphenyl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylphenyl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide
PubChem CID132651519
Molecular FormulaC19H22FNOS
Molecular Weight331.46 g/mol
Exact Mass331.14
IUPAC NameN-[1-(2,5-dimethylphenyl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide
SMILESCc1ccc(C)c(C(C)NC(=O)CSCc2ccccc2F)c1
InChIInChI=1S/C19H22FNOS/c1-13-8-9-14(2)17(10-13)15(3)21-19(22)12-23-11-16-6-4-5-7-18(16)20/h4-10,15H,11-12H2,1-3H3,(H,21,22)
InChIKeyRPNXWEZTQNQZTA-UHFFFAOYSA-N
XLogP4.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chlorophenyl)methylsulfanyl]-N-[1-(2,5-dimethylphenyl)ethyl]acetamide
CID 132652858
2-[(2-fluorophenyl)methylsulfanyl]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 133255559
N-[1-(4-fluorophenyl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide
CID 132650849
2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide
CID 92673206
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide
CID 133261844
N-[2-[[(1R)-1-(2,5-dimethylphenyl)ethyl]amino]-2-oxoethyl]-2-fluorobenzamide
CID 26752505
2-(2-chlorophenyl)-N-[1-(2,5-dimethylphenyl)ethyl]acetamide
CID 17327434
N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide
CID 31542494
2-(2-fluorophenyl)-N-[1-(2-methylphenyl)ethyl]acetamide
CID 18082306
2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide
CID 99130682
2-[(2-fluorophenyl)methylsulfanyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 133190952
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide
CID 133185918

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide?
The IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide (CID 132651519) is N-[1-(2,5-dimethylphenyl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-[1-(2,5-dimethylphenyl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-[1-(2,5-dimethylphenyl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide is Cc1ccc(C)c(C(C)NC(=O)CSCc2ccccc2F)c1.
What is the InChIKey of N-[1-(2,5-dimethylphenyl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide?
The InChIKey is RPNXWEZTQNQZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNOS/c1-13-8-9-14(2)17(10-13)15(3)21-19(22)12-23-11-16-6-4-5-7-18(16)20/h4-10,15H,11-12H2,1-3H3,(H,21,22).
What are the key properties of N-[1-(2,5-dimethylphenyl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide?
N-[1-(2,5-dimethylphenyl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide has a molecular weight of 331.46 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylphenyl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 132651519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).