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

C18H19F3N2O3S — CID 31251673

IUPACN-[(2-methylphenyl)methyl]-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
SMILESCc1ccccc1CNC(=O)CCNS(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C18H19F3N2O3S/c1-13-6-2-3-7-14(13)12-22-17(24)10-11-23-27(25,26)16-9-5-4-8-15(16)18(19,20)21/h2-9,23H,10-12H2,1H3,(H,22,24)
InChIKeyMNZGFTNJMUICPM-UHFFFAOYSA-N
MW400.42 g/mol
LogP3.00
Rot. Bonds7

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

N-[(2-methylphenyl)methyl]-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide (PubChem CID 31251673) has the molecular formula C18H19F3N2O3S and a molecular weight of 400.42 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
PubChem CID31251673
Molecular FormulaC18H19F3N2O3S
Molecular Weight400.42 g/mol
Exact Mass400.11
IUPAC NameN-[(2-methylphenyl)methyl]-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
SMILESCc1ccccc1CNC(=O)CCNS(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C18H19F3N2O3S/c1-13-6-2-3-7-14(13)12-22-17(24)10-11-23-27(25,26)16-9-5-4-8-15(16)18(19,20)21/h2-9,23H,10-12H2,1H3,(H,22,24)
InChIKeyMNZGFTNJMUICPM-UHFFFAOYSA-N
XLogP3.00
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.42
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-methoxy-5-[[3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanoylamino]methyl]benzoate
CID 17481251
N-[(2-methylphenyl)methyl]-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108945471
N-(4-methyl-2-pyridinyl)-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 17404636
N-[(2-chlorophenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
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3-(2-fluorophenyl)sulfonyl-N-[(2-methylphenyl)methyl]propanamide
CID 9489077
N-[(2,4-dimethylphenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
CID 46587654
3-(2-fluoroanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 109019162
3-[(4-tert-butylphenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]propanamide
CID 24536886
N-(3-hydroxybutyl)-2-(trifluoromethyl)benzenesulfonamide
CID 64911010
6-(methylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]hexanamide
CID 167116783
N-ethyl-2-(trifluoromethyl)benzenesulfonamide
CID 43212836
3-[(2-chlorophenyl)sulfonylamino]-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide
CID 55638530

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide (CID 31251673) is N-[(2-methylphenyl)methyl]-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide is Cc1ccccc1CNC(=O)CCNS(=O)(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[(2-methylphenyl)methyl]-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The InChIKey is MNZGFTNJMUICPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O3S/c1-13-6-2-3-7-14(13)12-22-17(24)10-11-23-27(25,26)16-9-5-4-8-15(16)18(19,20)21/h2-9,23H,10-12H2,1H3,(H,22,24).
What are the key properties of N-[(2-methylphenyl)methyl]-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
N-[(2-methylphenyl)methyl]-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide has a molecular weight of 400.42 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide is sourced from PubChem (CID 31251673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).