N-[1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-4-fluorobenzamide

C23H27ClFN3O4S — CID 46014685

IUPACN-[1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-4-fluorobenzamide
SMILESCCCNC(=O)C(NC(=O)c1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H27ClFN3O4S/c1-2-13-26-23(30)21(27-22(29)17-3-7-19(25)8-4-17)16-11-14-28(15-12-16)33(31,32)20-9-5-18(24)6-10-20/h3-10,16,21H,2,11-15H2,1H3,(H,26,30)(H,27,29)
InChIKeyOLCZSHSBKDGHDQ-UHFFFAOYSA-N
MW496.00 g/mol
LogP3.20
Rot. Bonds8

About N-[1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-4-fluorobenzamide

N-[1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-4-fluorobenzamide (PubChem CID 46014685) has the molecular formula C23H27ClFN3O4S and a molecular weight of 496.00 g/mol. Its IUPAC name is N-[1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-4-fluorobenzamide
PubChem CID46014685
Molecular FormulaC23H27ClFN3O4S
Molecular Weight496.00 g/mol
Exact Mass495.14
IUPAC NameN-[1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-4-fluorobenzamide
SMILESCCCNC(=O)C(NC(=O)c1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H27ClFN3O4S/c1-2-13-26-23(30)21(27-22(29)17-3-7-19(25)8-4-17)16-11-14-28(15-12-16)33(31,32)20-9-5-18(24)6-10-20/h3-10,16,21H,2,11-15H2,1H3,(H,26,30)(H,27,29)
InChIKeyOLCZSHSBKDGHDQ-UHFFFAOYSA-N
XLogP3.20
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.00
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-4-fluorobenzamide?
The IUPAC name of N-[1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-4-fluorobenzamide (CID 46014685) is N-[1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-4-fluorobenzamide?
The canonical SMILES for N-[1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-4-fluorobenzamide is CCCNC(=O)C(NC(=O)c1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-4-fluorobenzamide?
The InChIKey is OLCZSHSBKDGHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClFN3O4S/c1-2-13-26-23(30)21(27-22(29)17-3-7-19(25)8-4-17)16-11-14-28(15-12-16)33(31,32)20-9-5-18(24)6-10-20/h3-10,16,21H,2,11-15H2,1H3,(H,26,30)(H,27,29).
What are the key properties of N-[1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-4-fluorobenzamide?
N-[1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-4-fluorobenzamide has a molecular weight of 496.00 g/mol, XLogP of 3.20, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-4-fluorobenzamide is sourced from PubChem (CID 46014685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).