N-[2-(3-fluorophenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide

C18H21FN2O3S — CID 41365156

IUPACN-[2-(3-fluorophenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)NCCc2cccc(F)c2)cc(C)c1C
InChIInChI=1S/C18H21FN2O3S/c1-12-9-15(11-17(13(12)2)25(23,24)20-3)18(22)21-8-7-14-5-4-6-16(19)10-14/h4-6,9-11,20H,7-8H2,1-3H3,(H,21,22)
InChIKeyNPGXDNBGEWCVRP-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.32
Rot. Bonds6

About N-[2-(3-fluorophenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide

N-[2-(3-fluorophenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide (PubChem CID 41365156) has the molecular formula C18H21FN2O3S and a molecular weight of 364.44 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
PubChem CID41365156
Molecular FormulaC18H21FN2O3S
Molecular Weight364.44 g/mol
Exact Mass364.13
IUPAC NameN-[2-(3-fluorophenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)NCCc2cccc(F)c2)cc(C)c1C
InChIInChI=1S/C18H21FN2O3S/c1-12-9-15(11-17(13(12)2)25(23,24)20-3)18(22)21-8-7-14-5-4-6-16(19)10-14/h4-6,9-11,20H,7-8H2,1-3H3,(H,21,22)
InChIKeyNPGXDNBGEWCVRP-UHFFFAOYSA-N
XLogP2.32
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
CID 27838680
4-(tert-butylsulfamoyl)-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 29292702
N-[2-(3-fluorophenyl)ethyl]-2,3-dimethylbenzamide
CID 26463015
3-(tert-butylsulfamoyl)-4-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 35425596
3-bromo-N-[2-(3-fluorophenyl)ethyl]-5-methylbenzamide
CID 104851939
N-[2-(3-fluorophenyl)ethyl]-3-methoxy-4-methylbenzamide
CID 9182358
N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 26463062
4-amino-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 43565816
4-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 9051887
3,4-dimethyl-N-(2-methylpropyl)-5-(methylsulfamoyl)benzamide
CID 27539196
N-[2-(3-fluorophenyl)ethyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 33319345
N-(2-hydroxypropyl)-3,4-dimethyl-5-(methylsulfamoyl)benzamide
CID 78856270

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide?
The IUPAC name of N-[2-(3-fluorophenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide (CID 41365156) is N-[2-(3-fluorophenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(3-fluorophenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1cc(C(=O)NCCc2cccc(F)c2)cc(C)c1C.
What is the InChIKey of N-[2-(3-fluorophenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide?
The InChIKey is NPGXDNBGEWCVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3S/c1-12-9-15(11-17(13(12)2)25(23,24)20-3)18(22)21-8-7-14-5-4-6-16(19)10-14/h4-6,9-11,20H,7-8H2,1-3H3,(H,21,22).
What are the key properties of N-[2-(3-fluorophenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide?
N-[2-(3-fluorophenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide has a molecular weight of 364.44 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide is sourced from PubChem (CID 41365156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).