N-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide

C19H26F2N2O4S — CID 91906141

IUPACN-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide
SMILESCCC(=O)N(C1CCOCC1)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C19H26F2N2O4S/c1-2-19(24)23(15-7-11-27-12-8-15)14-5-9-22(10-6-14)28(25,26)16-3-4-17(20)18(21)13-16/h3-4,13-15H,2,5-12H2,1H3
InChIKeyTXOWIUCSRMKEOJ-UHFFFAOYSA-N
MW416.49 g/mol
LogP2.54
Rot. Bonds5

About N-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide

N-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide (PubChem CID 91906141) has the molecular formula C19H26F2N2O4S and a molecular weight of 416.49 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide
PubChem CID91906141
Molecular FormulaC19H26F2N2O4S
Molecular Weight416.49 g/mol
Exact Mass416.16
IUPAC NameN-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide
SMILESCCC(=O)N(C1CCOCC1)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C19H26F2N2O4S/c1-2-19(24)23(15-7-11-27-12-8-15)14-5-9-22(10-6-14)28(25,26)16-3-4-17(20)18(21)13-16/h3-4,13-15H,2,5-12H2,1H3
InChIKeyTXOWIUCSRMKEOJ-UHFFFAOYSA-N
XLogP2.54
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide?
The IUPAC name of N-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide (CID 91906141) is N-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide?
The canonical SMILES for N-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide is CCC(=O)N(C1CCOCC1)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide?
The InChIKey is TXOWIUCSRMKEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F2N2O4S/c1-2-19(24)23(15-7-11-27-12-8-15)14-5-9-22(10-6-14)28(25,26)16-3-4-17(20)18(21)13-16/h3-4,13-15H,2,5-12H2,1H3.
What are the key properties of N-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide?
N-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide has a molecular weight of 416.49 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide is sourced from PubChem (CID 91906141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).