2-(benzenesulfonamido)-2-[1-(4-fluorobenzoyl)piperidin-4-yl]-N-propylacetamide

C23H28FN3O4S — CID 46015342

IUPAC2-(benzenesulfonamido)-2-[1-(4-fluorobenzoyl)piperidin-4-yl]-N-propylacetamide
SMILESCCCNC(=O)C(NS(=O)(=O)c1ccccc1)C1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C23H28FN3O4S/c1-2-14-25-22(28)21(26-32(30,31)20-6-4-3-5-7-20)17-12-15-27(16-13-17)23(29)18-8-10-19(24)11-9-18/h3-11,17,21,26H,2,12-16H2,1H3,(H,25,28)
InChIKeyLTAINJDQKXLSDL-UHFFFAOYSA-N
MW461.56 g/mol
LogP2.55
Rot. Bonds8

About 2-(benzenesulfonamido)-2-[1-(4-fluorobenzoyl)piperidin-4-yl]-N-propylacetamide

2-(benzenesulfonamido)-2-[1-(4-fluorobenzoyl)piperidin-4-yl]-N-propylacetamide (PubChem CID 46015342) has the molecular formula C23H28FN3O4S and a molecular weight of 461.56 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-2-[1-(4-fluorobenzoyl)piperidin-4-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-2-[1-(4-fluorobenzoyl)piperidin-4-yl]-N-propylacetamide
PubChem CID46015342
Molecular FormulaC23H28FN3O4S
Molecular Weight461.56 g/mol
Exact Mass461.18
IUPAC Name2-(benzenesulfonamido)-2-[1-(4-fluorobenzoyl)piperidin-4-yl]-N-propylacetamide
SMILESCCCNC(=O)C(NS(=O)(=O)c1ccccc1)C1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C23H28FN3O4S/c1-2-14-25-22(28)21(26-32(30,31)20-6-4-3-5-7-20)17-12-15-27(16-13-17)23(29)18-8-10-19(24)11-9-18/h3-11,17,21,26H,2,12-16H2,1H3,(H,25,28)
InChIKeyLTAINJDQKXLSDL-UHFFFAOYSA-N
XLogP2.55
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.56
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzenesulfonamido)-2-[1-(3-fluorobenzoyl)piperidin-4-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 46150949
4-fluoro-N-[(1R)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]-2-(propylamino)ethyl]benzamide
CID 93178750
N-[(1R)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 93199300
N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide
CID 46379013
N-[1-(1-benzoylpiperidin-4-yl)-2-oxo-2-(propylamino)ethyl]-4-methylbenzamide
CID 46020539
N-[(1S)-1-(1-acetylpiperidin-4-yl)-2-oxo-2-(propylamino)ethyl]-4-fluorobenzamide
CID 93178716
N-[(1S)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 93199265
N-[2-oxo-2-(propylamino)-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]benzamide
CID 46016012
N-[(1S)-2-(benzylamino)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide
CID 93199377
4-fluoro-N-[(1R)-2-oxo-2-(propylamino)-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide
CID 93178723
N-[(1S)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(prop-2-enylamino)ethyl]benzamide
CID 93199501
N-[2-(1-benzoylpiperidin-4-yl)ethyl]-4-fluorobenzenesulfonamide
CID 53103835

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-2-[1-(4-fluorobenzoyl)piperidin-4-yl]-N-propylacetamide?
The IUPAC name of 2-(benzenesulfonamido)-2-[1-(4-fluorobenzoyl)piperidin-4-yl]-N-propylacetamide (CID 46015342) is 2-(benzenesulfonamido)-2-[1-(4-fluorobenzoyl)piperidin-4-yl]-N-propylacetamide.
What is the SMILES notation for 2-(benzenesulfonamido)-2-[1-(4-fluorobenzoyl)piperidin-4-yl]-N-propylacetamide?
The canonical SMILES for 2-(benzenesulfonamido)-2-[1-(4-fluorobenzoyl)piperidin-4-yl]-N-propylacetamide is CCCNC(=O)C(NS(=O)(=O)c1ccccc1)C1CCN(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 2-(benzenesulfonamido)-2-[1-(4-fluorobenzoyl)piperidin-4-yl]-N-propylacetamide?
The InChIKey is LTAINJDQKXLSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O4S/c1-2-14-25-22(28)21(26-32(30,31)20-6-4-3-5-7-20)17-12-15-27(16-13-17)23(29)18-8-10-19(24)11-9-18/h3-11,17,21,26H,2,12-16H2,1H3,(H,25,28).
What are the key properties of 2-(benzenesulfonamido)-2-[1-(4-fluorobenzoyl)piperidin-4-yl]-N-propylacetamide?
2-(benzenesulfonamido)-2-[1-(4-fluorobenzoyl)piperidin-4-yl]-N-propylacetamide has a molecular weight of 461.56 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-2-[1-(4-fluorobenzoyl)piperidin-4-yl]-N-propylacetamide is sourced from PubChem (CID 46015342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).