1-(2-cyanophenyl)sulfonyl-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpiperidine-4-carboxamide

C22H23F2N3O4S — CID 24503398

IUPAC1-(2-cyanophenyl)sulfonyl-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpiperidine-4-carboxamide
SMILESCN(Cc1ccc(OC(F)F)cc1)C(=O)C1CCN(S(=O)(=O)c2ccccc2C#N)CC1
InChIInChI=1S/C22H23F2N3O4S/c1-26(15-16-6-8-19(9-7-16)31-22(23)24)21(28)17-10-12-27(13-11-17)32(29,30)20-5-3-2-4-18(20)14-25/h2-9,17,22H,10-13,15H2,1H3
InChIKeyOJLNTKWNRBZZEW-UHFFFAOYSA-N
MW463.51 g/mol
LogP3.22
Rot. Bonds7

About 1-(2-cyanophenyl)sulfonyl-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpiperidine-4-carboxamide

1-(2-cyanophenyl)sulfonyl-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpiperidine-4-carboxamide (PubChem CID 24503398) has the molecular formula C22H23F2N3O4S and a molecular weight of 463.51 g/mol. Its IUPAC name is 1-(2-cyanophenyl)sulfonyl-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-cyanophenyl)sulfonyl-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpiperidine-4-carboxamide
PubChem CID24503398
Molecular FormulaC22H23F2N3O4S
Molecular Weight463.51 g/mol
Exact Mass463.14
IUPAC Name1-(2-cyanophenyl)sulfonyl-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpiperidine-4-carboxamide
SMILESCN(Cc1ccc(OC(F)F)cc1)C(=O)C1CCN(S(=O)(=O)c2ccccc2C#N)CC1
InChIInChI=1S/C22H23F2N3O4S/c1-26(15-16-6-8-19(9-7-16)31-22(23)24)21(28)17-10-12-27(13-11-17)32(29,30)20-5-3-2-4-18(20)14-25/h2-9,17,22H,10-13,15H2,1H3
InChIKeyOJLNTKWNRBZZEW-UHFFFAOYSA-N
XLogP3.22
TPSA90.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.51
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-cyanophenyl)sulfonyl-N-[[4-(dimethylamino)phenyl]methyl]-N-methylpiperidine-4-carboxamide
CID 27861422
N-benzyl-1-(2-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 27665709
N-[(4-cyanophenyl)methyl]-1-(2-cyanophenyl)sulfonyl-N-propylpiperidine-4-carboxamide
CID 55594937
1-(2-cyanophenyl)sulfonyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]piperidine-4-carboxamide
CID 24506314
N-benzyl-N-methyl-1-(2-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113004165
tert-butyl 4-[[4-(difluoromethoxy)phenyl]methyl-methylcarbamoyl]piperidine-1-carboxylate
CID 134059870
1-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 26250294
N-[[4-(difluoromethoxy)phenyl]methyl]-1-(4-fluorobenzoyl)-N-methylpiperidine-4-carboxamide
CID 31238759
1-(2-fluorophenyl)sulfonyl-N-methyl-N-(naphthalen-2-ylmethyl)piperidine-4-carboxamide
CID 17493112
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 27780979
N-[(4-methoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 26891230
N-benzyl-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide
CID 17027116

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanophenyl)sulfonyl-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-(2-cyanophenyl)sulfonyl-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpiperidine-4-carboxamide (CID 24503398) is 1-(2-cyanophenyl)sulfonyl-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2-cyanophenyl)sulfonyl-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2-cyanophenyl)sulfonyl-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpiperidine-4-carboxamide is CN(Cc1ccc(OC(F)F)cc1)C(=O)C1CCN(S(=O)(=O)c2ccccc2C#N)CC1.
What is the InChIKey of 1-(2-cyanophenyl)sulfonyl-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is OJLNTKWNRBZZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N3O4S/c1-26(15-16-6-8-19(9-7-16)31-22(23)24)21(28)17-10-12-27(13-11-17)32(29,30)20-5-3-2-4-18(20)14-25/h2-9,17,22H,10-13,15H2,1H3.
What are the key properties of 1-(2-cyanophenyl)sulfonyl-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpiperidine-4-carboxamide?
1-(2-cyanophenyl)sulfonyl-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 463.51 g/mol, XLogP of 3.22, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanophenyl)sulfonyl-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 24503398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).