4-(difluoromethylsulfonyl)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]benzamide

C18H19F2NO5S — CID 9194269

IUPAC4-(difluoromethylsulfonyl)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(OC)c([C@@H](C)NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)c1
InChIInChI=1S/C18H19F2NO5S/c1-11(15-10-13(25-2)6-9-16(15)26-3)21-17(22)12-4-7-14(8-5-12)27(23,24)18(19)20/h4-11,18H,1-3H3,(H,21,22)/t11-/m1/s1
InChIKeyRPGIPBBOHMEXMY-LLVKDONJSA-N
MW399.42 g/mol
LogP3.19
Rot. Bonds7

About 4-(difluoromethylsulfonyl)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]benzamide

4-(difluoromethylsulfonyl)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]benzamide (PubChem CID 9194269) has the molecular formula C18H19F2NO5S and a molecular weight of 399.42 g/mol. Its IUPAC name is 4-(difluoromethylsulfonyl)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-(difluoromethylsulfonyl)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]benzamide
PubChem CID9194269
Molecular FormulaC18H19F2NO5S
Molecular Weight399.42 g/mol
Exact Mass399.10
IUPAC Name4-(difluoromethylsulfonyl)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(OC)c([C@@H](C)NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)c1
InChIInChI=1S/C18H19F2NO5S/c1-11(15-10-13(25-2)6-9-16(15)26-3)21-17(22)12-4-7-14(8-5-12)27(23,24)18(19)20/h4-11,18H,1-3H3,(H,21,22)/t11-/m1/s1
InChIKeyRPGIPBBOHMEXMY-LLVKDONJSA-N
XLogP3.19
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2,5-dimethoxyphenyl)ethyl]-4-sulfamoylbenzamide
CID 55408572
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-fluorobenzamide
CID 880770
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 125052999
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9477031
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-fluoro-4-methoxybenzamide
CID 22107778
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3,4-dimethylbenzamide
CID 9477021
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide
CID 133160272
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-prop-2-enoxybenzamide
CID 133200218
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide
CID 133210747
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-(methylsulfanylmethyl)benzamide
CID 9477750
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-fluorobenzamide
CID 2918181
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-dimethoxybenzamide
CID 18116626

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonyl)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]benzamide?
The IUPAC name of 4-(difluoromethylsulfonyl)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]benzamide (CID 9194269) is 4-(difluoromethylsulfonyl)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 4-(difluoromethylsulfonyl)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]benzamide?
The canonical SMILES for 4-(difluoromethylsulfonyl)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]benzamide is COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)c1.
What is the InChIKey of 4-(difluoromethylsulfonyl)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]benzamide?
The InChIKey is RPGIPBBOHMEXMY-LLVKDONJSA-N. The full InChI is InChI=1S/C18H19F2NO5S/c1-11(15-10-13(25-2)6-9-16(15)26-3)21-17(22)12-4-7-14(8-5-12)27(23,24)18(19)20/h4-11,18H,1-3H3,(H,21,22)/t11-/m1/s1.
What are the key properties of 4-(difluoromethylsulfonyl)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]benzamide?
4-(difluoromethylsulfonyl)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]benzamide has a molecular weight of 399.42 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonyl)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 9194269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).