2-(difluoromethoxy)-N-[(4-phenyl-1-propylsulfonylpiperidin-4-yl)methyl]cyclohexa-2,4-diene-1-carboxamide

C23H30F2N2O4S — CID 162602793

IUPAC2-(difluoromethoxy)-N-[(4-phenyl-1-propylsulfonylpiperidin-4-yl)methyl]cyclohexa-2,4-diene-1-carboxamide
SMILESCCCS(=O)(=O)N1CCC(CNC(=O)C2CC=CC=C2OC(F)F)(c2ccccc2)CC1
InChIInChI=1S/C23H30F2N2O4S/c1-2-16-32(29,30)27-14-12-23(13-15-27,18-8-4-3-5-9-18)17-26-21(28)19-10-6-7-11-20(19)31-22(24)25/h3-9,11,19,22H,2,10,12-17H2,1H3,(H,26,28)
InChIKeyKWHUBBYYMCVXIH-UHFFFAOYSA-N
MW468.57 g/mol
LogP3.58
Rot. Bonds9

About 2-(difluoromethoxy)-N-[(4-phenyl-1-propylsulfonylpiperidin-4-yl)methyl]cyclohexa-2,4-diene-1-carboxamide

2-(difluoromethoxy)-N-[(4-phenyl-1-propylsulfonylpiperidin-4-yl)methyl]cyclohexa-2,4-diene-1-carboxamide (PubChem CID 162602793) has the molecular formula C23H30F2N2O4S and a molecular weight of 468.57 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-[(4-phenyl-1-propylsulfonylpiperidin-4-yl)methyl]cyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-[(4-phenyl-1-propylsulfonylpiperidin-4-yl)methyl]cyclohexa-2,4-diene-1-carboxamide
PubChem CID162602793
Molecular FormulaC23H30F2N2O4S
Molecular Weight468.57 g/mol
Exact Mass468.19
IUPAC Name2-(difluoromethoxy)-N-[(4-phenyl-1-propylsulfonylpiperidin-4-yl)methyl]cyclohexa-2,4-diene-1-carboxamide
SMILESCCCS(=O)(=O)N1CCC(CNC(=O)C2CC=CC=C2OC(F)F)(c2ccccc2)CC1
InChIInChI=1S/C23H30F2N2O4S/c1-2-16-32(29,30)27-14-12-23(13-15-27,18-8-4-3-5-9-18)17-26-21(28)19-10-6-7-11-20(19)31-22(24)25/h3-9,11,19,22H,2,10,12-17H2,1H3,(H,26,28)
InChIKeyKWHUBBYYMCVXIH-UHFFFAOYSA-N
XLogP3.58
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.57
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(difluoromethoxy)-N-[(4-phenyl-1-propylsulfonylpiperidin-4-yl)methyl]cyclohexa-2,4-diene-1-carboxamide with MolForge

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Related Compounds

N-[[1-[1-(4-fluorophenyl)ethylsulfamoyl]-4-thiophen-2-ylpiperidin-4-yl]methyl]-2-methoxycyclohexa-2,4-diene-1-carboxamide
CID 70851312
ethyl 2-oxo-2-[(1-phenylcyclopropyl)methylamino]acetate
CID 110471120
1-phenyl-N-(1-propylsulfonylpiperidin-4-yl)cyclopropane-1-carboxamide
CID 55962295
N-[[4-(6-methoxy-2-pyridinyl)-1-propylsulfonylpiperidin-4-yl]methyl]benzamide
CID 44565252
(3S)-1-ethylsulfonyl-N-[(4-phenyloxan-4-yl)methyl]piperidine-3-carboxamide
CID 98004889
2-ethoxy-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]propanamide
CID 119069555
N-[(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]-2-(trifluoromethyl)benzamide
CID 44565261
(2-chlorophenyl)methyl N-[[4-(2,3-dihydropyridin-2-yl)-1-propylsulfonylpiperidin-4-yl]methyl]carbamate
CID 70331764
N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrazolidine-4-carboxamide
CID 134127510
(2-chlorophenyl)methyl N-[(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]carbamate
CID 57430060
1-[3-(difluoromethoxy)phenyl]-3-[(1-phenylcyclopropyl)methyl]urea
CID 47039477
2-chloro-3,6-difluoro-N-[(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide;hydrochloride
CID 44564758

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-[(4-phenyl-1-propylsulfonylpiperidin-4-yl)methyl]cyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of 2-(difluoromethoxy)-N-[(4-phenyl-1-propylsulfonylpiperidin-4-yl)methyl]cyclohexa-2,4-diene-1-carboxamide (CID 162602793) is 2-(difluoromethoxy)-N-[(4-phenyl-1-propylsulfonylpiperidin-4-yl)methyl]cyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for 2-(difluoromethoxy)-N-[(4-phenyl-1-propylsulfonylpiperidin-4-yl)methyl]cyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for 2-(difluoromethoxy)-N-[(4-phenyl-1-propylsulfonylpiperidin-4-yl)methyl]cyclohexa-2,4-diene-1-carboxamide is CCCS(=O)(=O)N1CCC(CNC(=O)C2CC=CC=C2OC(F)F)(c2ccccc2)CC1.
What is the InChIKey of 2-(difluoromethoxy)-N-[(4-phenyl-1-propylsulfonylpiperidin-4-yl)methyl]cyclohexa-2,4-diene-1-carboxamide?
The InChIKey is KWHUBBYYMCVXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30F2N2O4S/c1-2-16-32(29,30)27-14-12-23(13-15-27,18-8-4-3-5-9-18)17-26-21(28)19-10-6-7-11-20(19)31-22(24)25/h3-9,11,19,22H,2,10,12-17H2,1H3,(H,26,28).
What are the key properties of 2-(difluoromethoxy)-N-[(4-phenyl-1-propylsulfonylpiperidin-4-yl)methyl]cyclohexa-2,4-diene-1-carboxamide?
2-(difluoromethoxy)-N-[(4-phenyl-1-propylsulfonylpiperidin-4-yl)methyl]cyclohexa-2,4-diene-1-carboxamide has a molecular weight of 468.57 g/mol, XLogP of 3.58, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-[(4-phenyl-1-propylsulfonylpiperidin-4-yl)methyl]cyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 162602793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).