N-[(4-fluorophenyl)methyl]-2-methoxy-5-[methyl(methylsulfonyl)amino]benzamide

C17H19FN2O4S — CID 28560777

IUPACN-[(4-fluorophenyl)methyl]-2-methoxy-5-[methyl(methylsulfonyl)amino]benzamide
SMILESCOc1ccc(N(C)S(C)(=O)=O)cc1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C17H19FN2O4S/c1-20(25(3,22)23)14-8-9-16(24-2)15(10-14)17(21)19-11-12-4-6-13(18)7-5-12/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyVPIQNCGSVCYBIX-UHFFFAOYSA-N
MW366.41 g/mol
LogP2.16
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-2-methoxy-5-[methyl(methylsulfonyl)amino]benzamide

N-[(4-fluorophenyl)methyl]-2-methoxy-5-[methyl(methylsulfonyl)amino]benzamide (PubChem CID 28560777) has the molecular formula C17H19FN2O4S and a molecular weight of 366.41 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-methoxy-5-[methyl(methylsulfonyl)amino]benzamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-methoxy-5-[methyl(methylsulfonyl)amino]benzamide
PubChem CID28560777
Molecular FormulaC17H19FN2O4S
Molecular Weight366.41 g/mol
Exact Mass366.10
IUPAC NameN-[(4-fluorophenyl)methyl]-2-methoxy-5-[methyl(methylsulfonyl)amino]benzamide
SMILESCOc1ccc(N(C)S(C)(=O)=O)cc1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C17H19FN2O4S/c1-20(25(3,22)23)14-8-9-16(24-2)15(10-14)17(21)19-11-12-4-6-13(18)7-5-12/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyVPIQNCGSVCYBIX-UHFFFAOYSA-N
XLogP2.16
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,3-N-bis[(4-fluorophenyl)methyl]-4-methoxybenzene-1,3-dicarboxamide
CID 71761549
3-[3-[(4-fluorophenyl)methylcarbamoyl]-4-methoxyphenyl]-2-hydroxypropanoic acid
CID 20777373
N-[[4-(dimethylamino)phenyl]methyl]-2-methoxy-5-methylbenzamide
CID 9305214
4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]benzoic acid
CID 162755933
2-[[3-[(4-fluorophenyl)methylcarbamoyl]-4-methoxyphenyl]methyl]butanoic acid
CID 20777225
5-[(4-fluorophenyl)methylsulfamoyl]-2-methoxy-N-methylbenzamide
CID 46763335
(2S)-3-[3-[[4-(4-fluorophenoxy)phenyl]methylcarbamoyl]-4-methoxyphenyl]-2-methylpropanoic acid
CID 58031797
2-methoxy-5-[methyl(methylsulfonyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 30148719
5-chloro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-methoxybenzamide
CID 100529367
N-[(4-fluorophenyl)methyl]-2,6-dimethoxybenzamide
CID 5216116
2-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxybenzamide
CID 30691396
5-fluoro-N-[2-(4-fluorophenyl)ethyl]-2-methoxybenzamide
CID 31069458

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-methoxy-5-[methyl(methylsulfonyl)amino]benzamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-methoxy-5-[methyl(methylsulfonyl)amino]benzamide (CID 28560777) is N-[(4-fluorophenyl)methyl]-2-methoxy-5-[methyl(methylsulfonyl)amino]benzamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-methoxy-5-[methyl(methylsulfonyl)amino]benzamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-methoxy-5-[methyl(methylsulfonyl)amino]benzamide is COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-methoxy-5-[methyl(methylsulfonyl)amino]benzamide?
The InChIKey is VPIQNCGSVCYBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O4S/c1-20(25(3,22)23)14-8-9-16(24-2)15(10-14)17(21)19-11-12-4-6-13(18)7-5-12/h4-10H,11H2,1-3H3,(H,19,21).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-methoxy-5-[methyl(methylsulfonyl)amino]benzamide?
N-[(4-fluorophenyl)methyl]-2-methoxy-5-[methyl(methylsulfonyl)amino]benzamide has a molecular weight of 366.41 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-methoxy-5-[methyl(methylsulfonyl)amino]benzamide is sourced from PubChem (CID 28560777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).