N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-(ethylsulfamoyl)benzamide

C19H22F2N2O4S — CID 55656191

IUPACN-[1-[2-(difluoromethoxy)phenyl]propyl]-4-(ethylsulfamoyl)benzamide
SMILESCCNS(=O)(=O)c1ccc(C(=O)NC(CC)c2ccccc2OC(F)F)cc1
InChIInChI=1S/C19H22F2N2O4S/c1-3-16(15-7-5-6-8-17(15)27-19(20)21)23-18(24)13-9-11-14(12-10-13)28(25,26)22-4-2/h5-12,16,19,22H,3-4H2,1-2H3,(H,23,24)
InChIKeyJRDLIRHYNUUEIP-UHFFFAOYSA-N
MW412.46 g/mol
LogP3.47
Rot. Bonds9

About N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-(ethylsulfamoyl)benzamide

N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-(ethylsulfamoyl)benzamide (PubChem CID 55656191) has the molecular formula C19H22F2N2O4S and a molecular weight of 412.46 g/mol. Its IUPAC name is N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-(ethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[1-[2-(difluoromethoxy)phenyl]propyl]-4-(ethylsulfamoyl)benzamide
PubChem CID55656191
Molecular FormulaC19H22F2N2O4S
Molecular Weight412.46 g/mol
Exact Mass412.13
IUPAC NameN-[1-[2-(difluoromethoxy)phenyl]propyl]-4-(ethylsulfamoyl)benzamide
SMILESCCNS(=O)(=O)c1ccc(C(=O)NC(CC)c2ccccc2OC(F)F)cc1
InChIInChI=1S/C19H22F2N2O4S/c1-3-16(15-7-5-6-8-17(15)27-19(20)21)23-18(24)13-9-11-14(12-10-13)28(25,26)22-4-2/h5-12,16,19,22H,3-4H2,1-2H3,(H,23,24)
InChIKeyJRDLIRHYNUUEIP-UHFFFAOYSA-N
XLogP3.47
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.46
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[1-[2-(difluoromethoxy)phenyl]propylcarbamoyl]phenoxy]benzamide
CID 56545716
N-[1-[2-(difluoromethoxy)phenyl]propyl]-1-oxidopyridin-1-ium-2-carboxamide
CID 60511438
(E)-N-[1-[2-(difluoromethoxy)phenyl]propyl]-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide
CID 55679628
4-(ethylsulfamoyl)-N-(1-thiophen-2-ylpropyl)benzamide
CID 55954354
3-benzamido-N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-methylbenzamide
CID 55656426
3-acetamido-N-[1-[2-(difluoromethoxy)phenyl]propyl]benzamide
CID 42959688
N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-(3,6-dioxodiazinan-1-yl)benzamide
CID 47783140
5-(tert-butylsulfamoyl)-N-[1-[2-(difluoromethoxy)phenyl]propyl]furan-2-carboxamide
CID 55656061
N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-fluoro-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55672746
N-[(1R)-1-(2-bromophenyl)ethyl]-4-(ethylsulfamoyl)benzamide
CID 9220040
N-[4-(difluoromethoxy)phenyl]-4-(ethylsulfamoyl)benzamide
CID 9405047
N-[1-[2-(difluoromethoxy)phenyl]propyl]-1-hydroxy-6-oxopyridine-2-carboxamide
CID 119037362

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-(ethylsulfamoyl)benzamide?
The IUPAC name of N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-(ethylsulfamoyl)benzamide (CID 55656191) is N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-(ethylsulfamoyl)benzamide.
What is the SMILES notation for N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-(ethylsulfamoyl)benzamide?
The canonical SMILES for N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-(ethylsulfamoyl)benzamide is CCNS(=O)(=O)c1ccc(C(=O)NC(CC)c2ccccc2OC(F)F)cc1.
What is the InChIKey of N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-(ethylsulfamoyl)benzamide?
The InChIKey is JRDLIRHYNUUEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O4S/c1-3-16(15-7-5-6-8-17(15)27-19(20)21)23-18(24)13-9-11-14(12-10-13)28(25,26)22-4-2/h5-12,16,19,22H,3-4H2,1-2H3,(H,23,24).
What are the key properties of N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-(ethylsulfamoyl)benzamide?
N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-(ethylsulfamoyl)benzamide has a molecular weight of 412.46 g/mol, XLogP of 3.47, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-(ethylsulfamoyl)benzamide is sourced from PubChem (CID 55656191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).