N-[(2-fluorophenyl)methyl]-N-methyl-2-phenyl-2-phenylsulfanylacetamide

C22H20FNOS — CID 112789886

IUPACN-[(2-fluorophenyl)methyl]-N-methyl-2-phenyl-2-phenylsulfanylacetamide
SMILESCN(Cc1ccccc1F)C(=O)C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C22H20FNOS/c1-24(16-18-12-8-9-15-20(18)23)22(25)21(17-10-4-2-5-11-17)26-19-13-6-3-7-14-19/h2-15,21H,16H2,1H3
InChIKeyXBHYSXZZUFJEJI-UHFFFAOYSA-N
MW365.47 g/mol
LogP5.32
Rot. Bonds6

About N-[(2-fluorophenyl)methyl]-N-methyl-2-phenyl-2-phenylsulfanylacetamide

N-[(2-fluorophenyl)methyl]-N-methyl-2-phenyl-2-phenylsulfanylacetamide (PubChem CID 112789886) has the molecular formula C22H20FNOS and a molecular weight of 365.47 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N-methyl-2-phenyl-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-N-methyl-2-phenyl-2-phenylsulfanylacetamide
PubChem CID112789886
Molecular FormulaC22H20FNOS
Molecular Weight365.47 g/mol
Exact Mass365.12
IUPAC NameN-[(2-fluorophenyl)methyl]-N-methyl-2-phenyl-2-phenylsulfanylacetamide
SMILESCN(Cc1ccccc1F)C(=O)C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C22H20FNOS/c1-24(16-18-12-8-9-15-20(18)23)22(25)21(17-10-4-2-5-11-17)26-19-13-6-3-7-14-19/h2-15,21H,16H2,1H3
InChIKeyXBHYSXZZUFJEJI-UHFFFAOYSA-N
XLogP5.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.47
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-fluorophenyl)methyl]-N-methyl-2,2-diphenylacetamide
CID 4803955
2-(diethylamino)-N-[(2-fluorophenyl)methyl]-N-methyl-2-phenylacetamide
CID 56545318
N-[(2-fluorophenyl)methyl]-N-methyl-2-(4-nitrophenyl)sulfanylpropanamide
CID 51174811
(2-fluorophenyl)methyl-methylcarbamic acid
CID 115171049
N-methyl-2-phenyl-2-phenylsulfanyl-N-propan-2-ylacetamide
CID 78844000
(2R)-N-methyl-N,2-diphenyl-2-phenylsulfanylacetamide
CID 821073
2-amino-N-[(2-fluorophenyl)methyl]-N-methylbutanamide
CID 43649648
(2S)-N-methyl-2-phenyl-2-phenylsulfanyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 52502293
2-[[(2-fluorophenyl)methyl-methylcarbamoyl]-methylamino]propanoic acid
CID 62638125
N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 60628244
N,N-bis(2-methylpropyl)-2-phenyl-2-phenylsulfanylacetamide
CID 5102974
2-phenyl-2-phenylsulfanyl-N,N-dipropylacetamide
CID 3702485

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N-methyl-2-phenyl-2-phenylsulfanylacetamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-N-methyl-2-phenyl-2-phenylsulfanylacetamide (CID 112789886) is N-[(2-fluorophenyl)methyl]-N-methyl-2-phenyl-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N-methyl-2-phenyl-2-phenylsulfanylacetamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-N-methyl-2-phenyl-2-phenylsulfanylacetamide is CN(Cc1ccccc1F)C(=O)C(Sc1ccccc1)c1ccccc1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N-methyl-2-phenyl-2-phenylsulfanylacetamide?
The InChIKey is XBHYSXZZUFJEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FNOS/c1-24(16-18-12-8-9-15-20(18)23)22(25)21(17-10-4-2-5-11-17)26-19-13-6-3-7-14-19/h2-15,21H,16H2,1H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-N-methyl-2-phenyl-2-phenylsulfanylacetamide?
N-[(2-fluorophenyl)methyl]-N-methyl-2-phenyl-2-phenylsulfanylacetamide has a molecular weight of 365.47 g/mol, XLogP of 5.32, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-N-methyl-2-phenyl-2-phenylsulfanylacetamide is sourced from PubChem (CID 112789886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).