2-[(2-fluorophenyl)methyl-methylamino]-N-(3-methylsulfanylphenyl)acetamide

C17H19FN2OS — CID 18078744

IUPAC2-[(2-fluorophenyl)methyl-methylamino]-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)CN(C)Cc2ccccc2F)c1
InChIInChI=1S/C17H19FN2OS/c1-20(11-13-6-3-4-9-16(13)18)12-17(21)19-14-7-5-8-15(10-14)22-2/h3-10H,11-12H2,1-2H3,(H,19,21)
InChIKeyIVVGHSRAOFWCLO-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.62
Rot. Bonds6

About 2-[(2-fluorophenyl)methyl-methylamino]-N-(3-methylsulfanylphenyl)acetamide

2-[(2-fluorophenyl)methyl-methylamino]-N-(3-methylsulfanylphenyl)acetamide (PubChem CID 18078744) has the molecular formula C17H19FN2OS and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl-methylamino]-N-(3-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl-methylamino]-N-(3-methylsulfanylphenyl)acetamide
PubChem CID18078744
Molecular FormulaC17H19FN2OS
Molecular Weight318.42 g/mol
Exact Mass318.12
IUPAC Name2-[(2-fluorophenyl)methyl-methylamino]-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)CN(C)Cc2ccccc2F)c1
InChIInChI=1S/C17H19FN2OS/c1-20(11-13-6-3-4-9-16(13)18)12-17(21)19-14-7-5-8-15(10-14)22-2/h3-10H,11-12H2,1-2H3,(H,19,21)
InChIKeyIVVGHSRAOFWCLO-UHFFFAOYSA-N
XLogP3.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetylphenyl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 9034829
N-(3-methylsulfanylphenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 27096610
N-(1,3-benzodioxol-5-yl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 4818793
N-(3,5-dimethoxyphenyl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 18078741
2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-N-(3-methylsulfanylphenyl)acetamide
CID 9198233
2-[(2-chloro-7-methylsulfanylquinolin-3-yl)methyl-methylamino]-N-(3-fluorophenyl)acetamide
CID 9348445
N-(3,4-difluorophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 8964034
N-[4-(difluoromethoxy)phenyl]-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 9035433
2-[[2-[(2-fluorophenyl)methyl-methylamino]acetyl]amino]-N-phenylbenzamide
CID 2474016
N-ethyl-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 78791355
N-(3-chloro-4-fluorophenyl)-2-[(2-chlorophenyl)methyl-methylamino]acetamide
CID 9057792
N-(9,10-dioxoanthracen-1-yl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 9035250

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl-methylamino]-N-(3-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[(2-fluorophenyl)methyl-methylamino]-N-(3-methylsulfanylphenyl)acetamide (CID 18078744) is 2-[(2-fluorophenyl)methyl-methylamino]-N-(3-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl-methylamino]-N-(3-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[(2-fluorophenyl)methyl-methylamino]-N-(3-methylsulfanylphenyl)acetamide is CSc1cccc(NC(=O)CN(C)Cc2ccccc2F)c1.
What is the InChIKey of 2-[(2-fluorophenyl)methyl-methylamino]-N-(3-methylsulfanylphenyl)acetamide?
The InChIKey is IVVGHSRAOFWCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2OS/c1-20(11-13-6-3-4-9-16(13)18)12-17(21)19-14-7-5-8-15(10-14)22-2/h3-10H,11-12H2,1-2H3,(H,19,21).
What are the key properties of 2-[(2-fluorophenyl)methyl-methylamino]-N-(3-methylsulfanylphenyl)acetamide?
2-[(2-fluorophenyl)methyl-methylamino]-N-(3-methylsulfanylphenyl)acetamide has a molecular weight of 318.42 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl-methylamino]-N-(3-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 18078744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).