2-[(2-chloro-4-fluorophenyl)methylsulfinyl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide

C18H19ClFNO3S — CID 86923071

IUPAC2-[(2-chloro-4-fluorophenyl)methylsulfinyl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1ccccc1CN(C)C(=O)CS(=O)Cc1ccc(F)cc1Cl
InChIInChI=1S/C18H19ClFNO3S/c1-21(10-13-5-3-4-6-17(13)24-2)18(22)12-25(23)11-14-7-8-15(20)9-16(14)19/h3-9H,10-12H2,1-2H3
InChIKeyHGAJMKIYRSUOLH-UHFFFAOYSA-N
MW383.87 g/mol
LogP3.39
Rot. Bonds7

About 2-[(2-chloro-4-fluorophenyl)methylsulfinyl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide

2-[(2-chloro-4-fluorophenyl)methylsulfinyl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide (PubChem CID 86923071) has the molecular formula C18H19ClFNO3S and a molecular weight of 383.87 g/mol. Its IUPAC name is 2-[(2-chloro-4-fluorophenyl)methylsulfinyl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(2-chloro-4-fluorophenyl)methylsulfinyl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
PubChem CID86923071
Molecular FormulaC18H19ClFNO3S
Molecular Weight383.87 g/mol
Exact Mass383.08
IUPAC Name2-[(2-chloro-4-fluorophenyl)methylsulfinyl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1ccccc1CN(C)C(=O)CS(=O)Cc1ccc(F)cc1Cl
InChIInChI=1S/C18H19ClFNO3S/c1-21(10-13-5-3-4-6-17(13)24-2)18(22)12-25(23)11-14-7-8-15(20)9-16(14)19/h3-9H,10-12H2,1-2H3
InChIKeyHGAJMKIYRSUOLH-UHFFFAOYSA-N
XLogP3.39
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.87
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 78829784
2-[(3-fluorophenyl)methyl-methylamino]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 86908474
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82128249
N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 60630949
N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylcarbamoyl chloride
CID 115194745
3-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylpropanamide
CID 94687738
2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfinyl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 78853235
3-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 94870765
2-amino-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 60718962
3-(2-chloro-4-fluorophenoxy)-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylpropanamide
CID 55772529
N,N'-bis[(2-chloro-4-fluorophenyl)methyl]-N,N'-dimethyloxamide
CID 166179956
5-fluoro-2-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 79882419

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-fluorophenyl)methylsulfinyl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-[(2-chloro-4-fluorophenyl)methylsulfinyl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide (CID 86923071) is 2-[(2-chloro-4-fluorophenyl)methylsulfinyl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-[(2-chloro-4-fluorophenyl)methylsulfinyl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-[(2-chloro-4-fluorophenyl)methylsulfinyl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide is COc1ccccc1CN(C)C(=O)CS(=O)Cc1ccc(F)cc1Cl.
What is the InChIKey of 2-[(2-chloro-4-fluorophenyl)methylsulfinyl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide?
The InChIKey is HGAJMKIYRSUOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFNO3S/c1-21(10-13-5-3-4-6-17(13)24-2)18(22)12-25(23)11-14-7-8-15(20)9-16(14)19/h3-9H,10-12H2,1-2H3.
What are the key properties of 2-[(2-chloro-4-fluorophenyl)methylsulfinyl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide?
2-[(2-chloro-4-fluorophenyl)methylsulfinyl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide has a molecular weight of 383.87 g/mol, XLogP of 3.39, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-fluorophenyl)methylsulfinyl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 86923071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).