3-(6-fluoro-1H-benzimidazol-2-yl)-5-[methyl(methylsulfonyl)amino]-N-[(1S)-1-phenylethyl]benzamide

C24H23FN4O3S — CID 57399320

IUPAC3-(6-fluoro-1H-benzimidazol-2-yl)-5-[methyl(methylsulfonyl)amino]-N-[(1S)-1-phenylethyl]benzamide
SMILESC[C@H](NC(=O)c1cc(-c2nc3ccc(F)cc3[nH]2)cc(N(C)S(C)(=O)=O)c1)c1ccccc1
InChIInChI=1S/C24H23FN4O3S/c1-15(16-7-5-4-6-8-16)26-24(30)18-11-17(12-20(13-18)29(2)33(3,31)32)23-27-21-10-9-19(25)14-22(21)28-23/h4-15H,1-3H3,(H,26,30)(H,27,28)/t15-/m0/s1
InChIKeyZQYBOOXPGDXABH-HNNXBMFYSA-N
MW466.54 g/mol
LogP4.26
Rot. Bonds6

About 3-(6-fluoro-1H-benzimidazol-2-yl)-5-[methyl(methylsulfonyl)amino]-N-[(1S)-1-phenylethyl]benzamide

3-(6-fluoro-1H-benzimidazol-2-yl)-5-[methyl(methylsulfonyl)amino]-N-[(1S)-1-phenylethyl]benzamide (PubChem CID 57399320) has the molecular formula C24H23FN4O3S and a molecular weight of 466.54 g/mol. Its IUPAC name is 3-(6-fluoro-1H-benzimidazol-2-yl)-5-[methyl(methylsulfonyl)amino]-N-[(1S)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name3-(6-fluoro-1H-benzimidazol-2-yl)-5-[methyl(methylsulfonyl)amino]-N-[(1S)-1-phenylethyl]benzamide
PubChem CID57399320
Molecular FormulaC24H23FN4O3S
Molecular Weight466.54 g/mol
Exact Mass466.15
IUPAC Name3-(6-fluoro-1H-benzimidazol-2-yl)-5-[methyl(methylsulfonyl)amino]-N-[(1S)-1-phenylethyl]benzamide
SMILESC[C@H](NC(=O)c1cc(-c2nc3ccc(F)cc3[nH]2)cc(N(C)S(C)(=O)=O)c1)c1ccccc1
InChIInChI=1S/C24H23FN4O3S/c1-15(16-7-5-4-6-8-16)26-24(30)18-11-17(12-20(13-18)29(2)33(3,31)32)23-27-21-10-9-19(25)14-22(21)28-23/h4-15H,1-3H3,(H,26,30)(H,27,28)/t15-/m0/s1
InChIKeyZQYBOOXPGDXABH-HNNXBMFYSA-N
XLogP4.26
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-1H-benzimidazol-2-yl)-5-[methyl(methylsulfonyl)amino]-N-[(1S)-1-phenylethyl]benzamide?
The IUPAC name of 3-(6-fluoro-1H-benzimidazol-2-yl)-5-[methyl(methylsulfonyl)amino]-N-[(1S)-1-phenylethyl]benzamide (CID 57399320) is 3-(6-fluoro-1H-benzimidazol-2-yl)-5-[methyl(methylsulfonyl)amino]-N-[(1S)-1-phenylethyl]benzamide.
What is the SMILES notation for 3-(6-fluoro-1H-benzimidazol-2-yl)-5-[methyl(methylsulfonyl)amino]-N-[(1S)-1-phenylethyl]benzamide?
The canonical SMILES for 3-(6-fluoro-1H-benzimidazol-2-yl)-5-[methyl(methylsulfonyl)amino]-N-[(1S)-1-phenylethyl]benzamide is C[C@H](NC(=O)c1cc(-c2nc3ccc(F)cc3[nH]2)cc(N(C)S(C)(=O)=O)c1)c1ccccc1.
What is the InChIKey of 3-(6-fluoro-1H-benzimidazol-2-yl)-5-[methyl(methylsulfonyl)amino]-N-[(1S)-1-phenylethyl]benzamide?
The InChIKey is ZQYBOOXPGDXABH-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H23FN4O3S/c1-15(16-7-5-4-6-8-16)26-24(30)18-11-17(12-20(13-18)29(2)33(3,31)32)23-27-21-10-9-19(25)14-22(21)28-23/h4-15H,1-3H3,(H,26,30)(H,27,28)/t15-/m0/s1.
What are the key properties of 3-(6-fluoro-1H-benzimidazol-2-yl)-5-[methyl(methylsulfonyl)amino]-N-[(1S)-1-phenylethyl]benzamide?
3-(6-fluoro-1H-benzimidazol-2-yl)-5-[methyl(methylsulfonyl)amino]-N-[(1S)-1-phenylethyl]benzamide has a molecular weight of 466.54 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-1H-benzimidazol-2-yl)-5-[methyl(methylsulfonyl)amino]-N-[(1S)-1-phenylethyl]benzamide is sourced from PubChem (CID 57399320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).