4-(difluoromethylsulfonyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide

C18H19F2NO4S — CID 9050026

IUPAC4-(difluoromethylsulfonyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide
SMILESCOc1ccc(C)cc1CCNC(=O)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C18H19F2NO4S/c1-12-3-8-16(25-2)14(11-12)9-10-21-17(22)13-4-6-15(7-5-13)26(23,24)18(19)20/h3-8,11,18H,9-10H2,1-2H3,(H,21,22)
InChIKeyVHQFWEDRZBIZMR-UHFFFAOYSA-N
MW383.42 g/mol
LogP2.97
Rot. Bonds7

About 4-(difluoromethylsulfonyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide

4-(difluoromethylsulfonyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide (PubChem CID 9050026) has the molecular formula C18H19F2NO4S and a molecular weight of 383.42 g/mol. Its IUPAC name is 4-(difluoromethylsulfonyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-(difluoromethylsulfonyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide
PubChem CID9050026
Molecular FormulaC18H19F2NO4S
Molecular Weight383.42 g/mol
Exact Mass383.10
IUPAC Name4-(difluoromethylsulfonyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide
SMILESCOc1ccc(C)cc1CCNC(=O)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C18H19F2NO4S/c1-12-3-8-16(25-2)14(11-12)9-10-21-17(22)13-4-6-15(7-5-13)26(23,24)18(19)20/h3-8,11,18H,9-10H2,1-2H3,(H,21,22)
InChIKeyVHQFWEDRZBIZMR-UHFFFAOYSA-N
XLogP2.97
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 26458905
3-(dimethylsulfamoyl)-4-methoxy-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 55396010
4-(difluoromethylsulfonyl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide
CID 8511792
4-chloro-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-methylsulfonylbenzamide
CID 26458889
3-(diethylsulfamoyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-4-methylbenzamide
CID 26457205
4-[(4-hydroxy-3-nitrophenyl)sulfonylamino]-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 16961086
4-bromo-N-[2-[2-(2-methoxy-5-methylphenyl)ethylamino]-2-oxoethyl]benzamide
CID 40659095
5-fluoro-2-methoxy-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 31116235
4-methoxy-N-[2-[[N-[2-(2-methoxy-5-methylphenyl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111388789
N-[2-[2-(2-methoxy-5-methylphenyl)ethylamino]-2-oxoethyl]benzamide
CID 41309387
N-[2-(2-methoxy-5-methylphenyl)ethyl]-2,4,6-trimethylbenzamide
CID 112795580
4-imidazol-1-yl-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 31533502

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide?
The IUPAC name of 4-(difluoromethylsulfonyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide (CID 9050026) is 4-(difluoromethylsulfonyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-(difluoromethylsulfonyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide?
The canonical SMILES for 4-(difluoromethylsulfonyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide is COc1ccc(C)cc1CCNC(=O)c1ccc(S(=O)(=O)C(F)F)cc1.
What is the InChIKey of 4-(difluoromethylsulfonyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide?
The InChIKey is VHQFWEDRZBIZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO4S/c1-12-3-8-16(25-2)14(11-12)9-10-21-17(22)13-4-6-15(7-5-13)26(23,24)18(19)20/h3-8,11,18H,9-10H2,1-2H3,(H,21,22).
What are the key properties of 4-(difluoromethylsulfonyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide?
4-(difluoromethylsulfonyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide has a molecular weight of 383.42 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide is sourced from PubChem (CID 9050026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).