4-fluoro-N-[1-[[2-(methanesulfonamido)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide

C20H24FN3O4S — CID 46476539

IUPAC4-fluoro-N-[1-[[2-(methanesulfonamido)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCC(C)C(NC(=O)c1ccc(F)cc1)C(=O)NCc1ccccc1NS(C)(=O)=O
InChIInChI=1S/C20H24FN3O4S/c1-13(2)18(23-19(25)14-8-10-16(21)11-9-14)20(26)22-12-15-6-4-5-7-17(15)24-29(3,27)28/h4-11,13,18,24H,12H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyDDEYHNYYWFUEGI-UHFFFAOYSA-N
MW421.49 g/mol
LogP2.27
Rot. Bonds8

About 4-fluoro-N-[1-[[2-(methanesulfonamido)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide

4-fluoro-N-[1-[[2-(methanesulfonamido)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide (PubChem CID 46476539) has the molecular formula C20H24FN3O4S and a molecular weight of 421.49 g/mol. Its IUPAC name is 4-fluoro-N-[1-[[2-(methanesulfonamido)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[1-[[2-(methanesulfonamido)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
PubChem CID46476539
Molecular FormulaC20H24FN3O4S
Molecular Weight421.49 g/mol
Exact Mass421.15
IUPAC Name4-fluoro-N-[1-[[2-(methanesulfonamido)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCC(C)C(NC(=O)c1ccc(F)cc1)C(=O)NCc1ccccc1NS(C)(=O)=O
InChIInChI=1S/C20H24FN3O4S/c1-13(2)18(23-19(25)14-8-10-16(21)11-9-14)20(26)22-12-15-6-4-5-7-17(15)24-29(3,27)28/h4-11,13,18,24H,12H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyDDEYHNYYWFUEGI-UHFFFAOYSA-N
XLogP2.27
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.49
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-fluoro-N-[1-[[2-(methanesulfonamido)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-N-[(2S)-1-(2-hydroxyanilino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 24535614
N-[[2-(methanesulfonamido)phenyl]methyl]-4-methylsulfanylbenzamide
CID 78875776
N-[1-(2-chloroanilino)-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 112760791
N-[1-[(4-fluorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 3911653
N-[1-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 24661069
4-fluoro-N-[3-methyl-1-oxo-1-(pentylamino)butan-2-yl]benzamide
CID 4811350
4-fluoro-N-[3-methyl-1-[3-(methylamino)propylamino]-1-oxobutan-2-yl]benzamide
CID 119431360
N-[1-(2-ethoxyanilino)-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 4880570
4-fluoro-N-[3-methyl-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]butan-2-yl]benzamide
CID 18276547
N-[(2S)-1-[(3-chlorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 7997570
4-fluoro-N-[(2S)-3-methyl-1-oxo-1-[(5-sulfamoylthiophen-2-yl)methylamino]butan-2-yl]benzamide
CID 55938069
4-methoxy-N-[1-[(2-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 4799536

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-[[2-(methanesulfonamido)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide?
The IUPAC name of 4-fluoro-N-[1-[[2-(methanesulfonamido)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide (CID 46476539) is 4-fluoro-N-[1-[[2-(methanesulfonamido)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[1-[[2-(methanesulfonamido)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[1-[[2-(methanesulfonamido)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide is CC(C)C(NC(=O)c1ccc(F)cc1)C(=O)NCc1ccccc1NS(C)(=O)=O.
What is the InChIKey of 4-fluoro-N-[1-[[2-(methanesulfonamido)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide?
The InChIKey is DDEYHNYYWFUEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O4S/c1-13(2)18(23-19(25)14-8-10-16(21)11-9-14)20(26)22-12-15-6-4-5-7-17(15)24-29(3,27)28/h4-11,13,18,24H,12H2,1-3H3,(H,22,26)(H,23,25).
What are the key properties of 4-fluoro-N-[1-[[2-(methanesulfonamido)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide?
4-fluoro-N-[1-[[2-(methanesulfonamido)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide has a molecular weight of 421.49 g/mol, XLogP of 2.27, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-[[2-(methanesulfonamido)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 46476539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).