N-(2,4-dimethylphenyl)-2-[1-(2-fluorophenyl)ethylsulfanyl]acetamide

C18H20FNOS — CID 60540881

IUPACN-(2,4-dimethylphenyl)-2-[1-(2-fluorophenyl)ethylsulfanyl]acetamide
SMILESCc1ccc(NC(=O)CSC(C)c2ccccc2F)c(C)c1
InChIInChI=1S/C18H20FNOS/c1-12-8-9-17(13(2)10-12)20-18(21)11-22-14(3)15-6-4-5-7-16(15)19/h4-10,14H,11H2,1-3H3,(H,20,21)
InChIKeyPKECLRCZFGBZFO-UHFFFAOYSA-N
MW317.43 g/mol
LogP4.88
Rot. Bonds5

About N-(2,4-dimethylphenyl)-2-[1-(2-fluorophenyl)ethylsulfanyl]acetamide

N-(2,4-dimethylphenyl)-2-[1-(2-fluorophenyl)ethylsulfanyl]acetamide (PubChem CID 60540881) has the molecular formula C18H20FNOS and a molecular weight of 317.43 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[1-(2-fluorophenyl)ethylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-[1-(2-fluorophenyl)ethylsulfanyl]acetamide
PubChem CID60540881
Molecular FormulaC18H20FNOS
Molecular Weight317.43 g/mol
Exact Mass317.12
IUPAC NameN-(2,4-dimethylphenyl)-2-[1-(2-fluorophenyl)ethylsulfanyl]acetamide
SMILESCc1ccc(NC(=O)CSC(C)c2ccccc2F)c(C)c1
InChIInChI=1S/C18H20FNOS/c1-12-8-9-17(13(2)10-12)20-18(21)11-22-14(3)15-6-4-5-7-16(15)19/h4-10,14H,11H2,1-3H3,(H,20,21)
InChIKeyPKECLRCZFGBZFO-UHFFFAOYSA-N
XLogP4.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-[1-(2-fluorophenyl)ethylsulfanyl]acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-[1-(2-fluorophenyl)ethylsulfanyl]acetamide (CID 60540881) is N-(2,4-dimethylphenyl)-2-[1-(2-fluorophenyl)ethylsulfanyl]acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-[1-(2-fluorophenyl)ethylsulfanyl]acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-[1-(2-fluorophenyl)ethylsulfanyl]acetamide is Cc1ccc(NC(=O)CSC(C)c2ccccc2F)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-[1-(2-fluorophenyl)ethylsulfanyl]acetamide?
The InChIKey is PKECLRCZFGBZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNOS/c1-12-8-9-17(13(2)10-12)20-18(21)11-22-14(3)15-6-4-5-7-16(15)19/h4-10,14H,11H2,1-3H3,(H,20,21).
What are the key properties of N-(2,4-dimethylphenyl)-2-[1-(2-fluorophenyl)ethylsulfanyl]acetamide?
N-(2,4-dimethylphenyl)-2-[1-(2-fluorophenyl)ethylsulfanyl]acetamide has a molecular weight of 317.43 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-[1-(2-fluorophenyl)ethylsulfanyl]acetamide is sourced from PubChem (CID 60540881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).