N-ethyl-N-[(3-fluorophenyl)methyl]-2-propylsulfonylbenzamide

C19H22FNO3S — CID 55669173

IUPACN-ethyl-N-[(3-fluorophenyl)methyl]-2-propylsulfonylbenzamide
SMILESCCCS(=O)(=O)c1ccccc1C(=O)N(CC)Cc1cccc(F)c1
InChIInChI=1S/C19H22FNO3S/c1-3-12-25(23,24)18-11-6-5-10-17(18)19(22)21(4-2)14-15-8-7-9-16(20)13-15/h5-11,13H,3-4,12,14H2,1-2H3
InChIKeyGUGWTIZCAQTYPF-UHFFFAOYSA-N
MW363.45 g/mol
LogP3.67
Rot. Bonds7

About N-ethyl-N-[(3-fluorophenyl)methyl]-2-propylsulfonylbenzamide

N-ethyl-N-[(3-fluorophenyl)methyl]-2-propylsulfonylbenzamide (PubChem CID 55669173) has the molecular formula C19H22FNO3S and a molecular weight of 363.45 g/mol. Its IUPAC name is N-ethyl-N-[(3-fluorophenyl)methyl]-2-propylsulfonylbenzamide.

Molecular Properties

Compound NameN-ethyl-N-[(3-fluorophenyl)methyl]-2-propylsulfonylbenzamide
PubChem CID55669173
Molecular FormulaC19H22FNO3S
Molecular Weight363.45 g/mol
Exact Mass363.13
IUPAC NameN-ethyl-N-[(3-fluorophenyl)methyl]-2-propylsulfonylbenzamide
SMILESCCCS(=O)(=O)c1ccccc1C(=O)N(CC)Cc1cccc(F)c1
InChIInChI=1S/C19H22FNO3S/c1-3-12-25(23,24)18-11-6-5-10-17(18)19(22)21(4-2)14-15-8-7-9-16(20)13-15/h5-11,13H,3-4,12,14H2,1-2H3
InChIKeyGUGWTIZCAQTYPF-UHFFFAOYSA-N
XLogP3.67
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide
CID 60655580
N-ethyl-N-(2-ethylbutyl)-2-propylsulfonylbenzamide
CID 60621588
N-ethyl-N-[(3-fluorophenyl)methyl]-4-methylsulfanylbenzamide
CID 78800898
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-propylsulfonylbenzamide
CID 39915950
2-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 9317159
4-chloro-3-(dimethylsulfamoyl)-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide
CID 51189994
N-benzyl-N-ethyl-4-fluoro-2-methylbenzamide
CID 115745298
5-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80624921
N-ethyl-N-[(3-fluorophenyl)methyl]-1H-indole-2-carboxamide
CID 51190000
N-ethyl-N-[(3-fluorophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 27861535
phenyl N-ethyl-N-[(3-fluorophenyl)methyl]carbamate
CID 60655409
2-amino-N-benzyl-N-ethyl-4-fluorobenzamide
CID 63109647

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3-fluorophenyl)methyl]-2-propylsulfonylbenzamide?
The IUPAC name of N-ethyl-N-[(3-fluorophenyl)methyl]-2-propylsulfonylbenzamide (CID 55669173) is N-ethyl-N-[(3-fluorophenyl)methyl]-2-propylsulfonylbenzamide.
What is the SMILES notation for N-ethyl-N-[(3-fluorophenyl)methyl]-2-propylsulfonylbenzamide?
The canonical SMILES for N-ethyl-N-[(3-fluorophenyl)methyl]-2-propylsulfonylbenzamide is CCCS(=O)(=O)c1ccccc1C(=O)N(CC)Cc1cccc(F)c1.
What is the InChIKey of N-ethyl-N-[(3-fluorophenyl)methyl]-2-propylsulfonylbenzamide?
The InChIKey is GUGWTIZCAQTYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO3S/c1-3-12-25(23,24)18-11-6-5-10-17(18)19(22)21(4-2)14-15-8-7-9-16(20)13-15/h5-11,13H,3-4,12,14H2,1-2H3.
What are the key properties of N-ethyl-N-[(3-fluorophenyl)methyl]-2-propylsulfonylbenzamide?
N-ethyl-N-[(3-fluorophenyl)methyl]-2-propylsulfonylbenzamide has a molecular weight of 363.45 g/mol, XLogP of 3.67, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3-fluorophenyl)methyl]-2-propylsulfonylbenzamide is sourced from PubChem (CID 55669173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).