5-(3,4-difluorophenoxy)-2,2-dimethyl-N-(1-pyridin-3-ylsulfonylpiperidin-4-yl)pentanamide

C23H29F2N3O4S — CID 142457751

IUPAC5-(3,4-difluorophenoxy)-2,2-dimethyl-N-(1-pyridin-3-ylsulfonylpiperidin-4-yl)pentanamide
SMILESCC(C)(CCCOc1ccc(F)c(F)c1)C(=O)NC1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C23H29F2N3O4S/c1-23(2,10-4-14-32-18-6-7-20(24)21(25)15-18)22(29)27-17-8-12-28(13-9-17)33(30,31)19-5-3-11-26-16-19/h3,5-7,11,15-17H,4,8-10,12-14H2,1-2H3,(H,27,29)
InChIKeyDUIKKCZPFLLNOH-UHFFFAOYSA-N
MW481.57 g/mol
LogP3.51
Rot. Bonds9

About 5-(3,4-difluorophenoxy)-2,2-dimethyl-N-(1-pyridin-3-ylsulfonylpiperidin-4-yl)pentanamide

5-(3,4-difluorophenoxy)-2,2-dimethyl-N-(1-pyridin-3-ylsulfonylpiperidin-4-yl)pentanamide (PubChem CID 142457751) has the molecular formula C23H29F2N3O4S and a molecular weight of 481.57 g/mol. Its IUPAC name is 5-(3,4-difluorophenoxy)-2,2-dimethyl-N-(1-pyridin-3-ylsulfonylpiperidin-4-yl)pentanamide.

Molecular Properties

Compound Name5-(3,4-difluorophenoxy)-2,2-dimethyl-N-(1-pyridin-3-ylsulfonylpiperidin-4-yl)pentanamide
PubChem CID142457751
Molecular FormulaC23H29F2N3O4S
Molecular Weight481.57 g/mol
Exact Mass481.18
IUPAC Name5-(3,4-difluorophenoxy)-2,2-dimethyl-N-(1-pyridin-3-ylsulfonylpiperidin-4-yl)pentanamide
SMILESCC(C)(CCCOc1ccc(F)c(F)c1)C(=O)NC1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C23H29F2N3O4S/c1-23(2,10-4-14-32-18-6-7-20(24)21(25)15-18)22(29)27-17-8-12-28(13-9-17)33(30,31)19-5-3-11-26-16-19/h3,5-7,11,15-17H,4,8-10,12-14H2,1-2H3,(H,27,29)
InChIKeyDUIKKCZPFLLNOH-UHFFFAOYSA-N
XLogP3.51
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.57
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(3,4-difluorophenoxy)-2,2-dimethyl-N-[1-[4-(morpholine-4-carbonyl)phenyl]sulfonylpiperidin-4-yl]pentanamide
CID 142457869
4-[4-[(2,2-dimethyl-5-quinolin-6-yloxypentanoyl)amino]piperidin-1-yl]sulfonylbenzoic acid
CID 142457760
5-(2,6-difluorophenoxy)-2,2-dimethyl-N-[1-(3-methylsulfonylphenyl)sulfonylpiperidin-4-yl]pentanamide
CID 142457941
4-[4-[[5-(2,4-difluorophenoxy)-2,2-dimethylpentanoyl]amino]piperidin-1-yl]sulfonylbenzoic acid
CID 142457500
N-[1-(4-cyanophenyl)sulfonylpiperidin-4-yl]-5-(4-methoxyphenoxy)-2,2-dimethylpentanamide
CID 142457747
N-[1-(3-cyanophenyl)sulfonylpiperidin-4-yl]-5-(2,5-dichlorophenoxy)-2,2-dimethylpentanamide
CID 142458060
N-(3,4-difluorophenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 40637703
N-[4-(4-methylphenoxy)butyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 55799620
N'-tert-butyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide
CID 90521047
2-methyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]propan-2-amine
CID 63878235
2-(3-chlorophenoxy)ethyl 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate
CID 46602847
N-cycloheptyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 4137817

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluorophenoxy)-2,2-dimethyl-N-(1-pyridin-3-ylsulfonylpiperidin-4-yl)pentanamide?
The IUPAC name of 5-(3,4-difluorophenoxy)-2,2-dimethyl-N-(1-pyridin-3-ylsulfonylpiperidin-4-yl)pentanamide (CID 142457751) is 5-(3,4-difluorophenoxy)-2,2-dimethyl-N-(1-pyridin-3-ylsulfonylpiperidin-4-yl)pentanamide.
What is the SMILES notation for 5-(3,4-difluorophenoxy)-2,2-dimethyl-N-(1-pyridin-3-ylsulfonylpiperidin-4-yl)pentanamide?
The canonical SMILES for 5-(3,4-difluorophenoxy)-2,2-dimethyl-N-(1-pyridin-3-ylsulfonylpiperidin-4-yl)pentanamide is CC(C)(CCCOc1ccc(F)c(F)c1)C(=O)NC1CCN(S(=O)(=O)c2cccnc2)CC1.
What is the InChIKey of 5-(3,4-difluorophenoxy)-2,2-dimethyl-N-(1-pyridin-3-ylsulfonylpiperidin-4-yl)pentanamide?
The InChIKey is DUIKKCZPFLLNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F2N3O4S/c1-23(2,10-4-14-32-18-6-7-20(24)21(25)15-18)22(29)27-17-8-12-28(13-9-17)33(30,31)19-5-3-11-26-16-19/h3,5-7,11,15-17H,4,8-10,12-14H2,1-2H3,(H,27,29).
What are the key properties of 5-(3,4-difluorophenoxy)-2,2-dimethyl-N-(1-pyridin-3-ylsulfonylpiperidin-4-yl)pentanamide?
5-(3,4-difluorophenoxy)-2,2-dimethyl-N-(1-pyridin-3-ylsulfonylpiperidin-4-yl)pentanamide has a molecular weight of 481.57 g/mol, XLogP of 3.51, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenoxy)-2,2-dimethyl-N-(1-pyridin-3-ylsulfonylpiperidin-4-yl)pentanamide is sourced from PubChem (CID 142457751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).