N-[1-(4-fluorophenyl)ethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide

C20H23FN2O4S — CID 24639119

IUPACN-[1-(4-fluorophenyl)ethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESCC(NC(=O)c1cccc(S(=O)(=O)NCC2CCCO2)c1)c1ccc(F)cc1
InChIInChI=1S/C20H23FN2O4S/c1-14(15-7-9-17(21)10-8-15)23-20(24)16-4-2-6-19(12-16)28(25,26)22-13-18-5-3-11-27-18/h2,4,6-10,12,14,18,22H,3,5,11,13H2,1H3,(H,23,24)
InChIKeyUFLZAECWPNOHMV-UHFFFAOYSA-N
MW406.48 g/mol
LogP2.77
Rot. Bonds7

About N-[1-(4-fluorophenyl)ethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide

N-[1-(4-fluorophenyl)ethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide (PubChem CID 24639119) has the molecular formula C20H23FN2O4S and a molecular weight of 406.48 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
PubChem CID24639119
Molecular FormulaC20H23FN2O4S
Molecular Weight406.48 g/mol
Exact Mass406.14
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESCC(NC(=O)c1cccc(S(=O)(=O)NCC2CCCO2)c1)c1ccc(F)cc1
InChIInChI=1S/C20H23FN2O4S/c1-14(15-7-9-17(21)10-8-15)23-20(24)16-4-2-6-19(12-16)28(25,26)22-13-18-5-3-11-27-18/h2,4,6-10,12,14,18,22H,3,5,11,13H2,1H3,(H,23,24)
InChIKeyUFLZAECWPNOHMV-UHFFFAOYSA-N
XLogP2.77
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 41074571
3-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 41074570
3-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 98381430
N-tert-butyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109063903
N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 42962136
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 9410285
N-(4-acetamidophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24539464
N,N-dimethyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 42910274
[(1R)-1-cyanoethyl] 3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate
CID 7976917
N-(oxolan-2-ylmethyl)-3-(1-phenylethylsulfamoyl)benzamide
CID 109063927
[(2S)-1-amino-1-oxopropan-2-yl] 3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate
CID 7976905
4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-(1-phenylethyl)benzamide
CID 55346360

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide (CID 24639119) is N-[1-(4-fluorophenyl)ethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide is CC(NC(=O)c1cccc(S(=O)(=O)NCC2CCCO2)c1)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The InChIKey is UFLZAECWPNOHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O4S/c1-14(15-7-9-17(21)10-8-15)23-20(24)16-4-2-6-19(12-16)28(25,26)22-13-18-5-3-11-27-18/h2,4,6-10,12,14,18,22H,3,5,11,13H2,1H3,(H,23,24).
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
N-[1-(4-fluorophenyl)ethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide has a molecular weight of 406.48 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 24639119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).