N-methylsulfonyl-6-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxy]hexanamide

C20H28N4O5S — CID 142526681

IUPACN-methylsulfonyl-6-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxy]hexanamide
SMILESCS(=O)(=O)NC(=O)CCCCCOc1ccc(-c2ccnn2C2CCCCO2)nc1
InChIInChI=1S/C20H28N4O5S/c1-30(26,27)23-19(25)7-3-2-5-13-28-16-9-10-17(21-15-16)18-11-12-22-24(18)20-8-4-6-14-29-20/h9-12,15,20H,2-8,13-14H2,1H3,(H,23,25)
InChIKeySGNBFEVXCBUGPO-UHFFFAOYSA-N
MW436.53 g/mol
LogP2.66
Rot. Bonds10

About N-methylsulfonyl-6-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxy]hexanamide

N-methylsulfonyl-6-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxy]hexanamide (PubChem CID 142526681) has the molecular formula C20H28N4O5S and a molecular weight of 436.53 g/mol. Its IUPAC name is N-methylsulfonyl-6-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxy]hexanamide.

Molecular Properties

Compound NameN-methylsulfonyl-6-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxy]hexanamide
PubChem CID142526681
Molecular FormulaC20H28N4O5S
Molecular Weight436.53 g/mol
Exact Mass436.18
IUPAC NameN-methylsulfonyl-6-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxy]hexanamide
SMILESCS(=O)(=O)NC(=O)CCCCCOc1ccc(-c2ccnn2C2CCCCO2)nc1
InChIInChI=1S/C20H28N4O5S/c1-30(26,27)23-19(25)7-3-2-5-13-28-16-9-10-17(21-15-16)18-11-12-22-24(18)20-8-4-6-14-29-20/h9-12,15,20H,2-8,13-14H2,1H3,(H,23,25)
InChIKeySGNBFEVXCBUGPO-UHFFFAOYSA-N
XLogP2.66
TPSA112.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methylsulfonyl-6-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxy]hexanamide?
The IUPAC name of N-methylsulfonyl-6-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxy]hexanamide (CID 142526681) is N-methylsulfonyl-6-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxy]hexanamide.
What is the SMILES notation for N-methylsulfonyl-6-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxy]hexanamide?
The canonical SMILES for N-methylsulfonyl-6-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxy]hexanamide is CS(=O)(=O)NC(=O)CCCCCOc1ccc(-c2ccnn2C2CCCCO2)nc1.
What is the InChIKey of N-methylsulfonyl-6-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxy]hexanamide?
The InChIKey is SGNBFEVXCBUGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O5S/c1-30(26,27)23-19(25)7-3-2-5-13-28-16-9-10-17(21-15-16)18-11-12-22-24(18)20-8-4-6-14-29-20/h9-12,15,20H,2-8,13-14H2,1H3,(H,23,25).
What are the key properties of N-methylsulfonyl-6-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxy]hexanamide?
N-methylsulfonyl-6-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxy]hexanamide has a molecular weight of 436.53 g/mol, XLogP of 2.66, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylsulfonyl-6-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxy]hexanamide is sourced from PubChem (CID 142526681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).