N-benzyl-2-[2-(difluoromethylsulfonyl)anilino]propanamide

C17H18F2N2O3S — CID 133298500

IUPACN-benzyl-2-[2-(difluoromethylsulfonyl)anilino]propanamide
SMILESCC(Nc1ccccc1S(=O)(=O)C(F)F)C(=O)NCc1ccccc1
InChIInChI=1S/C17H18F2N2O3S/c1-12(16(22)20-11-13-7-3-2-4-8-13)21-14-9-5-6-10-15(14)25(23,24)17(18)19/h2-10,12,17,21H,11H2,1H3,(H,20,22)
InChIKeyVLKVUJGOGTXSLQ-UHFFFAOYSA-N
MW368.41 g/mol
LogP2.80
Rot. Bonds7

About N-benzyl-2-[2-(difluoromethylsulfonyl)anilino]propanamide

N-benzyl-2-[2-(difluoromethylsulfonyl)anilino]propanamide (PubChem CID 133298500) has the molecular formula C17H18F2N2O3S and a molecular weight of 368.41 g/mol. Its IUPAC name is N-benzyl-2-[2-(difluoromethylsulfonyl)anilino]propanamide.

Molecular Properties

Compound NameN-benzyl-2-[2-(difluoromethylsulfonyl)anilino]propanamide
PubChem CID133298500
Molecular FormulaC17H18F2N2O3S
Molecular Weight368.41 g/mol
Exact Mass368.10
IUPAC NameN-benzyl-2-[2-(difluoromethylsulfonyl)anilino]propanamide
SMILESCC(Nc1ccccc1S(=O)(=O)C(F)F)C(=O)NCc1ccccc1
InChIInChI=1S/C17H18F2N2O3S/c1-12(16(22)20-11-13-7-3-2-4-8-13)21-14-9-5-6-10-15(14)25(23,24)17(18)19/h2-10,12,17,21H,11H2,1H3,(H,20,22)
InChIKeyVLKVUJGOGTXSLQ-UHFFFAOYSA-N
XLogP2.80
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(dimethylsulfamoyl)anilino]-N-ethylpropanamide
CID 61479924
N-benzyl-2-(4-tert-butylanilino)propanamide
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N-benzyl-2-(1,2-dihydroacenaphthylen-5-ylamino)propanamide
CID 134031739
(2S)-N-benzyl-2-[[4,6-bis(2-fluoroanilino)-1,3,5-triazin-2-yl]amino]propanamide
CID 41284505
3-[2-(difluoromethylsulfonyl)anilino]-2,2-dimethylpropanoic acid
CID 115427654
2-(difluoromethylsulfonyl)-N-(1-thiophen-3-ylpropan-2-yl)aniline
CID 61474487
N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 54209319
N-benzyl-2-methylpropanamide;methane
CID 160760567
N-benzyl-2-(methylcarbamoylamino)propanamide
CID 47377374
2-(2-ethylsulfonylanilino)-N-methylpropanamide
CID 54950934
2,3-diamino-N-benzylbutanamide
CID 143155055
(2S)-2-amino-N-benzyl-3-methylbutanamide
CID 11063601

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-(difluoromethylsulfonyl)anilino]propanamide?
The IUPAC name of N-benzyl-2-[2-(difluoromethylsulfonyl)anilino]propanamide (CID 133298500) is N-benzyl-2-[2-(difluoromethylsulfonyl)anilino]propanamide.
What is the SMILES notation for N-benzyl-2-[2-(difluoromethylsulfonyl)anilino]propanamide?
The canonical SMILES for N-benzyl-2-[2-(difluoromethylsulfonyl)anilino]propanamide is CC(Nc1ccccc1S(=O)(=O)C(F)F)C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[2-(difluoromethylsulfonyl)anilino]propanamide?
The InChIKey is VLKVUJGOGTXSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O3S/c1-12(16(22)20-11-13-7-3-2-4-8-13)21-14-9-5-6-10-15(14)25(23,24)17(18)19/h2-10,12,17,21H,11H2,1H3,(H,20,22).
What are the key properties of N-benzyl-2-[2-(difluoromethylsulfonyl)anilino]propanamide?
N-benzyl-2-[2-(difluoromethylsulfonyl)anilino]propanamide has a molecular weight of 368.41 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-(difluoromethylsulfonyl)anilino]propanamide is sourced from PubChem (CID 133298500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).