4-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide

C26H29FN2O4S — CID 133167206

IUPAC4-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide
SMILESCCC(NC(=O)c1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1)c1ccc(OC)c(C)c1
InChIInChI=1S/C26H29FN2O4S/c1-5-24(21-10-15-25(33-3)18(2)16-21)28-26(30)20-8-13-23(14-9-20)29(34(4,31)32)17-19-6-11-22(27)12-7-19/h6-16,24H,5,17H2,1-4H3,(H,28,30)
InChIKeyAKKIJKRFGBLGCU-UHFFFAOYSA-N
MW484.59 g/mol
LogP4.99
Rot. Bonds9

About 4-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide

4-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide (PubChem CID 133167206) has the molecular formula C26H29FN2O4S and a molecular weight of 484.59 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide
PubChem CID133167206
Molecular FormulaC26H29FN2O4S
Molecular Weight484.59 g/mol
Exact Mass484.18
IUPAC Name4-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide
SMILESCCC(NC(=O)c1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1)c1ccc(OC)c(C)c1
InChIInChI=1S/C26H29FN2O4S/c1-5-24(21-10-15-25(33-3)18(2)16-21)28-26(30)20-8-13-23(14-9-20)29(34(4,31)32)17-19-6-11-22(27)12-7-19/h6-16,24H,5,17H2,1-4H3,(H,28,30)
InChIKeyAKKIJKRFGBLGCU-UHFFFAOYSA-N
XLogP4.99
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.59
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[ethyl(ethylsulfonyl)amino]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 100603395
N-[1-(3,4-dimethylphenyl)propyl]-4-[ethyl(methylsulfonyl)amino]benzamide
CID 132658898
(2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]butanamide
CID 125048937
N-[1-(3,4-dimethoxyphenyl)propyl]-2-(4-fluoro-N-methylsulfonylanilino)acetamide
CID 43895870
4-methoxy-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 133210902
N-[(1S)-1-(4-methylphenyl)propyl]-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 92680361
N-[1-(4-ethylphenyl)ethyl]-4-[(4-fluorophenyl)methyl-methylsulfonylamino]benzamide
CID 133261991
N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide
CID 100615499
4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 30398853
4-iodo-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 100684625
N-(2,4-dimethylpentan-3-yl)-4-[(4-fluorophenyl)methyl-methylsulfonylamino]benzamide
CID 53282646
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 100667074

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide?
The IUPAC name of 4-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide (CID 133167206) is 4-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide?
The canonical SMILES for 4-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide is CCC(NC(=O)c1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1)c1ccc(OC)c(C)c1.
What is the InChIKey of 4-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide?
The InChIKey is AKKIJKRFGBLGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN2O4S/c1-5-24(21-10-15-25(33-3)18(2)16-21)28-26(30)20-8-13-23(14-9-20)29(34(4,31)32)17-19-6-11-22(27)12-7-19/h6-16,24H,5,17H2,1-4H3,(H,28,30).
What are the key properties of 4-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide?
4-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide has a molecular weight of 484.59 g/mol, XLogP of 4.99, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide is sourced from PubChem (CID 133167206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).