N-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide

C20H29FN2O4S — CID 91906125

IUPACN-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide
SMILESCCC(=O)N(C1CCOCC1)C1CCN(S(=O)(=O)c2ccc(F)c(C)c2)CC1
InChIInChI=1S/C20H29FN2O4S/c1-3-20(24)23(17-8-12-27-13-9-17)16-6-10-22(11-7-16)28(25,26)18-4-5-19(21)15(2)14-18/h4-5,14,16-17H,3,6-13H2,1-2H3
InChIKeyRXSHDSUFIMGJOA-UHFFFAOYSA-N
MW412.53 g/mol
LogP2.70
Rot. Bonds5

About N-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide

N-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide (PubChem CID 91906125) has the molecular formula C20H29FN2O4S and a molecular weight of 412.53 g/mol. Its IUPAC name is N-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide.

Molecular Properties

Compound NameN-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide
PubChem CID91906125
Molecular FormulaC20H29FN2O4S
Molecular Weight412.53 g/mol
Exact Mass412.18
IUPAC NameN-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide
SMILESCCC(=O)N(C1CCOCC1)C1CCN(S(=O)(=O)c2ccc(F)c(C)c2)CC1
InChIInChI=1S/C20H29FN2O4S/c1-3-20(24)23(17-8-12-27-13-9-17)16-6-10-22(11-7-16)28(25,26)18-4-5-19(21)15(2)14-18/h4-5,14,16-17H,3,6-13H2,1-2H3
InChIKeyRXSHDSUFIMGJOA-UHFFFAOYSA-N
XLogP2.70
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide?
The IUPAC name of N-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide (CID 91906125) is N-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide.
What is the SMILES notation for N-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide?
The canonical SMILES for N-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide is CCC(=O)N(C1CCOCC1)C1CCN(S(=O)(=O)c2ccc(F)c(C)c2)CC1.
What is the InChIKey of N-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide?
The InChIKey is RXSHDSUFIMGJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN2O4S/c1-3-20(24)23(17-8-12-27-13-9-17)16-6-10-22(11-7-16)28(25,26)18-4-5-19(21)15(2)14-18/h4-5,14,16-17H,3,6-13H2,1-2H3.
What are the key properties of N-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide?
N-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide has a molecular weight of 412.53 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide is sourced from PubChem (CID 91906125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).