N-[(4-fluorophenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide

C17H18FNOS — CID 3332623

IUPACN-[(4-fluorophenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
SMILESCc1ccc(CSCC(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C17H18FNOS/c1-13-2-4-15(5-3-13)11-21-12-17(20)19-10-14-6-8-16(18)9-7-14/h2-9H,10-12H2,1H3,(H,19,20)
InChIKeyACFUOLGINMTZLV-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.68
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide

N-[(4-fluorophenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide (PubChem CID 3332623) has the molecular formula C17H18FNOS and a molecular weight of 303.40 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
PubChem CID3332623
Molecular FormulaC17H18FNOS
Molecular Weight303.40 g/mol
Exact Mass303.11
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
SMILESCc1ccc(CSCC(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C17H18FNOS/c1-13-2-4-15(5-3-13)11-21-12-17(20)19-10-14-6-8-16(18)9-7-14/h2-9H,10-12H2,1H3,(H,19,20)
InChIKeyACFUOLGINMTZLV-UHFFFAOYSA-N
XLogP3.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide (CID 3332623) is N-[(4-fluorophenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide is Cc1ccc(CSCC(=O)NCc2ccc(F)cc2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide?
The InChIKey is ACFUOLGINMTZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNOS/c1-13-2-4-15(5-3-13)11-21-12-17(20)19-10-14-6-8-16(18)9-7-14/h2-9H,10-12H2,1H3,(H,19,20).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide?
N-[(4-fluorophenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide has a molecular weight of 303.40 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 3332623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).