3-[[1-[2-(difluoromethoxy)phenyl]ethenylamino]carbamoyl]-N,N-diethylbenzenesulfonamide

C20H23F2N3O4S — CID 2401208

IUPAC3-[[1-[2-(difluoromethoxy)phenyl]ethenylamino]carbamoyl]-N,N-diethylbenzenesulfonamide
SMILESC=C(NNC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1)c1ccccc1OC(F)F
InChIInChI=1S/C20H23F2N3O4S/c1-4-25(5-2)30(27,28)16-10-8-9-15(13-16)19(26)24-23-14(3)17-11-6-7-12-18(17)29-20(21)22/h6-13,20,23H,3-5H2,1-2H3,(H,24,26)
InChIKeyAIMAGKHMTHSJHE-UHFFFAOYSA-N
MW439.48 g/mol
LogP3.22
Rot. Bonds10

About 3-[[1-[2-(difluoromethoxy)phenyl]ethenylamino]carbamoyl]-N,N-diethylbenzenesulfonamide

3-[[1-[2-(difluoromethoxy)phenyl]ethenylamino]carbamoyl]-N,N-diethylbenzenesulfonamide (PubChem CID 2401208) has the molecular formula C20H23F2N3O4S and a molecular weight of 439.48 g/mol. Its IUPAC name is 3-[[1-[2-(difluoromethoxy)phenyl]ethenylamino]carbamoyl]-N,N-diethylbenzenesulfonamide.

Molecular Properties

Compound Name3-[[1-[2-(difluoromethoxy)phenyl]ethenylamino]carbamoyl]-N,N-diethylbenzenesulfonamide
PubChem CID2401208
Molecular FormulaC20H23F2N3O4S
Molecular Weight439.48 g/mol
Exact Mass439.14
IUPAC Name3-[[1-[2-(difluoromethoxy)phenyl]ethenylamino]carbamoyl]-N,N-diethylbenzenesulfonamide
SMILESC=C(NNC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1)c1ccccc1OC(F)F
InChIInChI=1S/C20H23F2N3O4S/c1-4-25(5-2)30(27,28)16-10-8-9-15(13-16)19(26)24-23-14(3)17-11-6-7-12-18(17)29-20(21)22/h6-13,20,23H,3-5H2,1-2H3,(H,24,26)
InChIKeyAIMAGKHMTHSJHE-UHFFFAOYSA-N
XLogP3.22
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-(diethylsulfamoyl)phenyl]-2-(difluoromethoxy)benzamide
CID 8883724
3-[[1-(3,4-dimethoxyphenyl)ethenylamino]carbamoyl]-N,N-diethylbenzenesulfonamide
CID 2692154
3-(diethylsulfamoyl)-N-[1-[2-(2-fluorobenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 4238182
methyl N-[1-[2-(difluoromethoxy)phenyl]ethenylamino]carbamate
CID 2386816
N,N-diethyl-3-[(3-methylbutanoylamino)carbamoyl]benzenesulfonamide
CID 26654579
N-[2-[2-[3-(diethylsulfamoyl)benzoyl]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide
CID 34524023
3-(diethylsulfamoyl)-N-methylbenzamide
CID 47099917
3-[[[2-(2-butan-2-ylphenoxy)acetyl]amino]carbamoyl]-N,N-diethylbenzenesulfonamide
CID 55486046
N,N-diethyl-3-[[(3-phenylmethoxybenzoyl)amino]carbamoyl]benzenesulfonamide
CID 26654618
N,N-diethyl-3-[[[2-(2-fluorophenyl)acetyl]amino]carbamoyl]benzenesulfonamide
CID 34523393
3-(diethylsulfamoyl)-N-(2-ethoxyphenyl)benzamide
CID 2591095
3-[[(3,4-dichlorobenzoyl)amino]carbamoyl]-N,N-diethylbenzenesulfonamide
CID 26654573

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[2-(difluoromethoxy)phenyl]ethenylamino]carbamoyl]-N,N-diethylbenzenesulfonamide?
The IUPAC name of 3-[[1-[2-(difluoromethoxy)phenyl]ethenylamino]carbamoyl]-N,N-diethylbenzenesulfonamide (CID 2401208) is 3-[[1-[2-(difluoromethoxy)phenyl]ethenylamino]carbamoyl]-N,N-diethylbenzenesulfonamide.
What is the SMILES notation for 3-[[1-[2-(difluoromethoxy)phenyl]ethenylamino]carbamoyl]-N,N-diethylbenzenesulfonamide?
The canonical SMILES for 3-[[1-[2-(difluoromethoxy)phenyl]ethenylamino]carbamoyl]-N,N-diethylbenzenesulfonamide is C=C(NNC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1)c1ccccc1OC(F)F.
What is the InChIKey of 3-[[1-[2-(difluoromethoxy)phenyl]ethenylamino]carbamoyl]-N,N-diethylbenzenesulfonamide?
The InChIKey is AIMAGKHMTHSJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N3O4S/c1-4-25(5-2)30(27,28)16-10-8-9-15(13-16)19(26)24-23-14(3)17-11-6-7-12-18(17)29-20(21)22/h6-13,20,23H,3-5H2,1-2H3,(H,24,26).
What are the key properties of 3-[[1-[2-(difluoromethoxy)phenyl]ethenylamino]carbamoyl]-N,N-diethylbenzenesulfonamide?
3-[[1-[2-(difluoromethoxy)phenyl]ethenylamino]carbamoyl]-N,N-diethylbenzenesulfonamide has a molecular weight of 439.48 g/mol, XLogP of 3.22, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[2-(difluoromethoxy)phenyl]ethenylamino]carbamoyl]-N,N-diethylbenzenesulfonamide is sourced from PubChem (CID 2401208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).