N-[(3-fluorophenyl)methyl]-N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide

C18H18F4N2O3S — CID 112768441

IUPACN-[(3-fluorophenyl)methyl]-N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
SMILESCC(NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N(C)Cc1cccc(F)c1
InChIInChI=1S/C18H18F4N2O3S/c1-12(17(25)24(2)11-13-5-3-7-15(19)9-13)23-28(26,27)16-8-4-6-14(10-16)18(20,21)22/h3-10,12,23H,11H2,1-2H3
InChIKeyWDPSWOXYNZNTHL-UHFFFAOYSA-N
MW418.41 g/mol
LogP3.17
Rot. Bonds6

About N-[(3-fluorophenyl)methyl]-N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide

N-[(3-fluorophenyl)methyl]-N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide (PubChem CID 112768441) has the molecular formula C18H18F4N2O3S and a molecular weight of 418.41 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
PubChem CID112768441
Molecular FormulaC18H18F4N2O3S
Molecular Weight418.41 g/mol
Exact Mass418.10
IUPAC NameN-[(3-fluorophenyl)methyl]-N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
SMILESCC(NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N(C)Cc1cccc(F)c1
InChIInChI=1S/C18H18F4N2O3S/c1-12(17(25)24(2)11-13-5-3-7-15(19)9-13)23-28(26,27)16-8-4-6-14(10-16)18(20,21)22/h3-10,12,23H,11H2,1-2H3
InChIKeyWDPSWOXYNZNTHL-UHFFFAOYSA-N
XLogP3.17
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-fluorophenyl)methyl]-N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 78781511
N-[(3-fluorophenyl)methyl]-2-hydroxy-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide
CID 166193053
2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanethioamide
CID 61124235
[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
CID 43028147
[1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzoate
CID 5036401
2,2-difluoro-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 103600519
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 112768545
(2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[(3-methylphenyl)methylsulfonyl]propanamide
CID 51954078
2-(3-ethylanilino)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 134030730
2-amino-N-[(3-fluorophenyl)methyl]-N,3-dimethylbutanamide
CID 43211988
N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 51969222
N-[(3-fluorophenyl)methyl]-N-methyl-2-(3,4,5-trimethoxyanilino)propanamide
CID 134031135

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide (CID 112768441) is N-[(3-fluorophenyl)methyl]-N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide is CC(NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N(C)Cc1cccc(F)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The InChIKey is WDPSWOXYNZNTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F4N2O3S/c1-12(17(25)24(2)11-13-5-3-7-15(19)9-13)23-28(26,27)16-8-4-6-14(10-16)18(20,21)22/h3-10,12,23H,11H2,1-2H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
N-[(3-fluorophenyl)methyl]-N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide has a molecular weight of 418.41 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide is sourced from PubChem (CID 112768441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).