N-[2-(diethylamino)-1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide

C25H32FN3O5S — CID 46014688

IUPACN-[2-(diethylamino)-1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide
SMILESCCN(CC)C(=O)C(NC(=O)c1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C25H32FN3O5S/c1-4-28(5-2)25(31)23(27-24(30)19-6-8-20(26)9-7-19)18-14-16-29(17-15-18)35(32,33)22-12-10-21(34-3)11-13-22/h6-13,18,23H,4-5,14-17H2,1-3H3,(H,27,30)
InChIKeyQTIHXDWUGRBQNS-UHFFFAOYSA-N
MW505.61 g/mol
LogP2.90
Rot. Bonds9

About N-[2-(diethylamino)-1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide

N-[2-(diethylamino)-1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide (PubChem CID 46014688) has the molecular formula C25H32FN3O5S and a molecular weight of 505.61 g/mol. Its IUPAC name is N-[2-(diethylamino)-1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide
PubChem CID46014688
Molecular FormulaC25H32FN3O5S
Molecular Weight505.61 g/mol
Exact Mass505.20
IUPAC NameN-[2-(diethylamino)-1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide
SMILESCCN(CC)C(=O)C(NC(=O)c1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C25H32FN3O5S/c1-4-28(5-2)25(31)23(27-24(30)19-6-8-20(26)9-7-19)18-14-16-29(17-15-18)35(32,33)22-12-10-21(34-3)11-13-22/h6-13,18,23H,4-5,14-17H2,1-3H3,(H,27,30)
InChIKeyQTIHXDWUGRBQNS-UHFFFAOYSA-N
XLogP2.90
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.61
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-(diethylamino)-2-oxoethyl]-4-fluorobenzamide
CID 93178892
N-[2-(butan-2-ylamino)-1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxoethyl]-4-methoxybenzamide
CID 46020818
N-[(1R)-2-(diethylamino)-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]-4-methoxybenzamide
CID 93197391
N-[(1S)-1-(1-acetylpiperidin-4-yl)-2-(diethylamino)-2-oxoethyl]-4-fluorobenzamide
CID 93178764
N-[(1S)-2-(diethylamino)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide
CID 93178757
4-methoxy-N-[(1S)-2-(3-methoxypropylamino)-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-oxoethyl]benzamide
CID 93200608
N-[(1S)-2-(diethylamino)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]-4-methylbenzamide
CID 93199629
N-[(1R)-2-(diethylamino)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]-4-fluorobenzamide
CID 97496241
N-[(1R)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-oxo-2-(propan-2-ylamino)ethyl]-4-fluorobenzamide
CID 93183349
N-[(1S)-2-(diethylamino)-1-[1-(ethylcarbamothioyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide
CID 93178875
N-[1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(diethylamino)-2-oxoethyl]-4-fluorobenzamide
CID 46014668
N-[(1R)-2-(diethylamino)-1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide
CID 93178801

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide?
The IUPAC name of N-[2-(diethylamino)-1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide (CID 46014688) is N-[2-(diethylamino)-1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-(diethylamino)-1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide?
The canonical SMILES for N-[2-(diethylamino)-1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide is CCN(CC)C(=O)C(NC(=O)c1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1.
What is the InChIKey of N-[2-(diethylamino)-1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide?
The InChIKey is QTIHXDWUGRBQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FN3O5S/c1-4-28(5-2)25(31)23(27-24(30)19-6-8-20(26)9-7-19)18-14-16-29(17-15-18)35(32,33)22-12-10-21(34-3)11-13-22/h6-13,18,23H,4-5,14-17H2,1-3H3,(H,27,30).
What are the key properties of N-[2-(diethylamino)-1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide?
N-[2-(diethylamino)-1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide has a molecular weight of 505.61 g/mol, XLogP of 2.90, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide is sourced from PubChem (CID 46014688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).