N-[(4-fluorophenyl)methyl]-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide

C18H21FN2OS — CID 2526390

IUPACN-[(4-fluorophenyl)methyl]-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
SMILESCSc1ccc(CN(C)CC(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C18H21FN2OS/c1-21(12-15-5-9-17(23-2)10-6-15)13-18(22)20-11-14-3-7-16(19)8-4-14/h3-10H,11-13H2,1-2H3,(H,20,22)
InChIKeyXFDNNENUIDDJQH-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.30
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide

N-[(4-fluorophenyl)methyl]-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide (PubChem CID 2526390) has the molecular formula C18H21FN2OS and a molecular weight of 332.44 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
PubChem CID2526390
Molecular FormulaC18H21FN2OS
Molecular Weight332.44 g/mol
Exact Mass332.14
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
SMILESCSc1ccc(CN(C)CC(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C18H21FN2OS/c1-21(12-15-5-9-17(23-2)10-6-15)13-18(22)20-11-14-3-7-16(19)8-4-14/h3-10H,11-13H2,1-2H3,(H,20,22)
InChIKeyXFDNNENUIDDJQH-UHFFFAOYSA-N
XLogP3.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide (CID 2526390) is N-[(4-fluorophenyl)methyl]-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide is CSc1ccc(CN(C)CC(=O)NCc2ccc(F)cc2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide?
The InChIKey is XFDNNENUIDDJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2OS/c1-21(12-15-5-9-17(23-2)10-6-15)13-18(22)20-11-14-3-7-16(19)8-4-14/h3-10H,11-13H2,1-2H3,(H,20,22).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide?
N-[(4-fluorophenyl)methyl]-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide has a molecular weight of 332.44 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide is sourced from PubChem (CID 2526390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).