4-(difluoromethylsulfonyl)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide

C22H26F2N2O4S — CID 60533875

IUPAC4-(difluoromethylsulfonyl)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
SMILESCOc1ccccc1C(CNC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)N1CCCCC1
InChIInChI=1S/C22H26F2N2O4S/c1-30-20-8-4-3-7-18(20)19(26-13-5-2-6-14-26)15-25-21(27)16-9-11-17(12-10-16)31(28,29)22(23)24/h3-4,7-12,19,22H,2,5-6,13-15H2,1H3,(H,25,27)
InChIKeyXDEHRKGMMLQBGB-UHFFFAOYSA-N
MW452.52 g/mol
LogP3.65
Rot. Bonds8

About 4-(difluoromethylsulfonyl)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide

4-(difluoromethylsulfonyl)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide (PubChem CID 60533875) has the molecular formula C22H26F2N2O4S and a molecular weight of 452.52 g/mol. Its IUPAC name is 4-(difluoromethylsulfonyl)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide.

Molecular Properties

Compound Name4-(difluoromethylsulfonyl)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
PubChem CID60533875
Molecular FormulaC22H26F2N2O4S
Molecular Weight452.52 g/mol
Exact Mass452.16
IUPAC Name4-(difluoromethylsulfonyl)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
SMILESCOc1ccccc1C(CNC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)N1CCCCC1
InChIInChI=1S/C22H26F2N2O4S/c1-30-20-8-4-3-7-18(20)19(26-13-5-2-6-14-26)15-25-21(27)16-9-11-17(12-10-16)31(28,29)22(23)24/h3-4,7-12,19,22H,2,5-6,13-15H2,1H3,(H,25,27)
InChIKeyXDEHRKGMMLQBGB-UHFFFAOYSA-N
XLogP3.65
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.52
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 41187538
methyl 4-[[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]carbamoyl]benzoate
CID 60533855
4-[(4-ethoxyphenyl)sulfamoyl]-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 25335595
3-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide
CID 60533969
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 134025825
4-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 55352591
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 43006287
N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 55950109
3-fluoro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methylbenzamide
CID 43044899
3-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-prop-2-enoxybenzamide
CID 55950107
3-fluoro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43006303
N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-3-carboxamide
CID 30522983

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonyl)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide?
The IUPAC name of 4-(difluoromethylsulfonyl)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide (CID 60533875) is 4-(difluoromethylsulfonyl)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide.
What is the SMILES notation for 4-(difluoromethylsulfonyl)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide?
The canonical SMILES for 4-(difluoromethylsulfonyl)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide is COc1ccccc1C(CNC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)N1CCCCC1.
What is the InChIKey of 4-(difluoromethylsulfonyl)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide?
The InChIKey is XDEHRKGMMLQBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2N2O4S/c1-30-20-8-4-3-7-18(20)19(26-13-5-2-6-14-26)15-25-21(27)16-9-11-17(12-10-16)31(28,29)22(23)24/h3-4,7-12,19,22H,2,5-6,13-15H2,1H3,(H,25,27).
What are the key properties of 4-(difluoromethylsulfonyl)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide?
4-(difluoromethylsulfonyl)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide has a molecular weight of 452.52 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonyl)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide is sourced from PubChem (CID 60533875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).