N-[2-(2-fluorophenyl)-2-methoxypropyl]-2-methylsulfanylbenzamide

C18H20FNO2S — CID 71810619

IUPACN-[2-(2-fluorophenyl)-2-methoxypropyl]-2-methylsulfanylbenzamide
SMILESCOC(C)(CNC(=O)c1ccccc1SC)c1ccccc1F
InChIInChI=1S/C18H20FNO2S/c1-18(22-2,14-9-5-6-10-15(14)19)12-20-17(21)13-8-4-7-11-16(13)23-3/h4-11H,12H2,1-3H3,(H,20,21)
InChIKeyLDOJITGVPLYWDT-UHFFFAOYSA-N
MW333.43 g/mol
LogP3.84
Rot. Bonds6

About N-[2-(2-fluorophenyl)-2-methoxypropyl]-2-methylsulfanylbenzamide

N-[2-(2-fluorophenyl)-2-methoxypropyl]-2-methylsulfanylbenzamide (PubChem CID 71810619) has the molecular formula C18H20FNO2S and a molecular weight of 333.43 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-2-methoxypropyl]-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-2-methoxypropyl]-2-methylsulfanylbenzamide
PubChem CID71810619
Molecular FormulaC18H20FNO2S
Molecular Weight333.43 g/mol
Exact Mass333.12
IUPAC NameN-[2-(2-fluorophenyl)-2-methoxypropyl]-2-methylsulfanylbenzamide
SMILESCOC(C)(CNC(=O)c1ccccc1SC)c1ccccc1F
InChIInChI=1S/C18H20FNO2S/c1-18(22-2,14-9-5-6-10-15(14)19)12-20-17(21)13-8-4-7-11-16(13)23-3/h4-11H,12H2,1-3H3,(H,20,21)
InChIKeyLDOJITGVPLYWDT-UHFFFAOYSA-N
XLogP3.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 56763881
2-(methylthio)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide
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N-[2-(2-Fluorophenyl)-2-methoxypropyl]thiophene-3-carboxamide
CID 71810601
4-(N,N-dimethylsulfamoyl)-N-(2-(2-fluorophenyl)-2-methoxypropyl)benzamide
CID 71810641
2,6-difluoro-N-(2-methoxy-2-phenylbutyl)benzamide
CID 71810728
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CID 71810741
2-(ethylthio)-N-(2-(3-fluorophenyl)-2-methoxyethyl)benzamide
CID 73168390
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CID 90599210
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CID 97417380

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-2-methoxypropyl]-2-methylsulfanylbenzamide?
The IUPAC name of N-[2-(2-fluorophenyl)-2-methoxypropyl]-2-methylsulfanylbenzamide (CID 71810619) is N-[2-(2-fluorophenyl)-2-methoxypropyl]-2-methylsulfanylbenzamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)-2-methoxypropyl]-2-methylsulfanylbenzamide?
The canonical SMILES for N-[2-(2-fluorophenyl)-2-methoxypropyl]-2-methylsulfanylbenzamide is COC(C)(CNC(=O)c1ccccc1SC)c1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenyl)-2-methoxypropyl]-2-methylsulfanylbenzamide?
The InChIKey is LDOJITGVPLYWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO2S/c1-18(22-2,14-9-5-6-10-15(14)19)12-20-17(21)13-8-4-7-11-16(13)23-3/h4-11H,12H2,1-3H3,(H,20,21).
What are the key properties of N-[2-(2-fluorophenyl)-2-methoxypropyl]-2-methylsulfanylbenzamide?
N-[2-(2-fluorophenyl)-2-methoxypropyl]-2-methylsulfanylbenzamide has a molecular weight of 333.43 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-2-methoxypropyl]-2-methylsulfanylbenzamide is sourced from PubChem (CID 71810619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).