N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-2-(4-methylsulfanylphenyl)acetamide

C19H19FN2OS — CID 90653942

IUPACN-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-2-(4-methylsulfanylphenyl)acetamide
SMILESCSc1ccc(CC(=O)N(C)Cc2cc3cc(F)ccc3[nH]2)cc1
InChIInChI=1S/C19H19FN2OS/c1-22(19(23)9-13-3-6-17(24-2)7-4-13)12-16-11-14-10-15(20)5-8-18(14)21-16/h3-8,10-11,21H,9,12H2,1-2H3
InChIKeyAOUSRPZTVNKBAB-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.23
Rot. Bonds5

About N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-2-(4-methylsulfanylphenyl)acetamide

N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-2-(4-methylsulfanylphenyl)acetamide (PubChem CID 90653942) has the molecular formula C19H19FN2OS and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-2-(4-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-2-(4-methylsulfanylphenyl)acetamide
PubChem CID90653942
Molecular FormulaC19H19FN2OS
Molecular Weight342.44 g/mol
Exact Mass342.12
IUPAC NameN-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-2-(4-methylsulfanylphenyl)acetamide
SMILESCSc1ccc(CC(=O)N(C)Cc2cc3cc(F)ccc3[nH]2)cc1
InChIInChI=1S/C19H19FN2OS/c1-22(19(23)9-13-3-6-17(24-2)7-4-13)12-16-11-14-10-15(20)5-8-18(14)21-16/h3-8,10-11,21H,9,12H2,1-2H3
InChIKeyAOUSRPZTVNKBAB-UHFFFAOYSA-N
XLogP4.23
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-2-(4-methylsulfanylphenyl)acetamide?
The IUPAC name of N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-2-(4-methylsulfanylphenyl)acetamide (CID 90653942) is N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-2-(4-methylsulfanylphenyl)acetamide.
What is the SMILES notation for N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-2-(4-methylsulfanylphenyl)acetamide?
The canonical SMILES for N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-2-(4-methylsulfanylphenyl)acetamide is CSc1ccc(CC(=O)N(C)Cc2cc3cc(F)ccc3[nH]2)cc1.
What is the InChIKey of N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-2-(4-methylsulfanylphenyl)acetamide?
The InChIKey is AOUSRPZTVNKBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2OS/c1-22(19(23)9-13-3-6-17(24-2)7-4-13)12-16-11-14-10-15(20)5-8-18(14)21-16/h3-8,10-11,21H,9,12H2,1-2H3.
What are the key properties of N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-2-(4-methylsulfanylphenyl)acetamide?
N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-2-(4-methylsulfanylphenyl)acetamide has a molecular weight of 342.44 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-2-(4-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 90653942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).