2,4-difluoro-N-[2-[3-[methyl(methylsulfonyl)amino]propylamino]-2-oxoethyl]benzamide

C14H19F2N3O4S — CID 46434276

IUPAC2,4-difluoro-N-[2-[3-[methyl(methylsulfonyl)amino]propylamino]-2-oxoethyl]benzamide
SMILESCN(CCCNC(=O)CNC(=O)c1ccc(F)cc1F)S(C)(=O)=O
InChIInChI=1S/C14H19F2N3O4S/c1-19(24(2,22)23)7-3-6-17-13(20)9-18-14(21)11-5-4-10(15)8-12(11)16/h4-5,8H,3,6-7,9H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyFBHXRCGOFSCOAU-UHFFFAOYSA-N
MW363.39 g/mol
LogP0.09
Rot. Bonds8

About 2,4-difluoro-N-[2-[3-[methyl(methylsulfonyl)amino]propylamino]-2-oxoethyl]benzamide

2,4-difluoro-N-[2-[3-[methyl(methylsulfonyl)amino]propylamino]-2-oxoethyl]benzamide (PubChem CID 46434276) has the molecular formula C14H19F2N3O4S and a molecular weight of 363.39 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-[3-[methyl(methylsulfonyl)amino]propylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[2-[3-[methyl(methylsulfonyl)amino]propylamino]-2-oxoethyl]benzamide
PubChem CID46434276
Molecular FormulaC14H19F2N3O4S
Molecular Weight363.39 g/mol
Exact Mass363.11
IUPAC Name2,4-difluoro-N-[2-[3-[methyl(methylsulfonyl)amino]propylamino]-2-oxoethyl]benzamide
SMILESCN(CCCNC(=O)CNC(=O)c1ccc(F)cc1F)S(C)(=O)=O
InChIInChI=1S/C14H19F2N3O4S/c1-19(24(2,22)23)7-3-6-17-13(20)9-18-14(21)11-5-4-10(15)8-12(11)16/h4-5,8H,3,6-7,9H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyFBHXRCGOFSCOAU-UHFFFAOYSA-N
XLogP0.09
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,4-difluoro-N-[4-[2-hydroxyethyl(methyl)amino]-4-oxobutyl]benzamide
CID 110886148
N-[2-(dimethylamino)-2-oxoethyl]-2,4-difluorobenzamide
CID 9480520
N-[2-[[4-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]-2,4-difluorobenzamide
CID 55845901
2,4-difluoro-N-[2-oxo-2-(prop-2-enylamino)ethyl]benzamide
CID 51192153
N-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]-2,4-difluorobenzamide
CID 29478462
N-[2-[(2-benzamidoacetyl)amino]ethyl]-2,4-difluorobenzamide
CID 108571301
2,4-difluoro-N-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]benzamide
CID 46536800
N-[2-(dimethylsulfamoylamino)ethyl]-2,4-difluorobenzamide
CID 51102133
N-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]-2,4-difluorobenzamide
CID 29495039
N-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-2,4-difluorobenzamide
CID 38107976
N-[3-[4-[butyl(methyl)sulfamoyl]anilino]-3-oxopropyl]-2,4-difluorobenzamide
CID 30669790
2,4-difluoro-N-(2-methylprop-2-enyl)benzamide
CID 114618824

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-[3-[methyl(methylsulfonyl)amino]propylamino]-2-oxoethyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[2-[3-[methyl(methylsulfonyl)amino]propylamino]-2-oxoethyl]benzamide (CID 46434276) is 2,4-difluoro-N-[2-[3-[methyl(methylsulfonyl)amino]propylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[2-[3-[methyl(methylsulfonyl)amino]propylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[2-[3-[methyl(methylsulfonyl)amino]propylamino]-2-oxoethyl]benzamide is CN(CCCNC(=O)CNC(=O)c1ccc(F)cc1F)S(C)(=O)=O.
What is the InChIKey of 2,4-difluoro-N-[2-[3-[methyl(methylsulfonyl)amino]propylamino]-2-oxoethyl]benzamide?
The InChIKey is FBHXRCGOFSCOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3O4S/c1-19(24(2,22)23)7-3-6-17-13(20)9-18-14(21)11-5-4-10(15)8-12(11)16/h4-5,8H,3,6-7,9H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of 2,4-difluoro-N-[2-[3-[methyl(methylsulfonyl)amino]propylamino]-2-oxoethyl]benzamide?
2,4-difluoro-N-[2-[3-[methyl(methylsulfonyl)amino]propylamino]-2-oxoethyl]benzamide has a molecular weight of 363.39 g/mol, XLogP of 0.09, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[2-[3-[methyl(methylsulfonyl)amino]propylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 46434276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).