2,2-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]propanamide

C17H23F3N2O3S — CID 3218828

IUPAC2,2-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]propanamide
SMILESCC(C)(C)C(=O)NC1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C17H23F3N2O3S/c1-16(2,3)15(23)21-13-8-10-22(11-9-13)26(24,25)14-6-4-12(5-7-14)17(18,19)20/h4-7,13H,8-11H2,1-3H3,(H,21,23)
InChIKeyOXYRQXFESCBUDW-UHFFFAOYSA-N
MW392.44 g/mol
LogP3.02
Rot. Bonds3

About 2,2-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]propanamide

2,2-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]propanamide (PubChem CID 3218828) has the molecular formula C17H23F3N2O3S and a molecular weight of 392.44 g/mol. Its IUPAC name is 2,2-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]propanamide
PubChem CID3218828
Molecular FormulaC17H23F3N2O3S
Molecular Weight392.44 g/mol
Exact Mass392.14
IUPAC Name2,2-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]propanamide
SMILESCC(C)(C)C(=O)NC1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C17H23F3N2O3S/c1-16(2,3)15(23)21-13-8-10-22(11-9-13)26(24,25)14-6-4-12(5-7-14)17(18,19)20/h4-7,13H,8-11H2,1-3H3,(H,21,23)
InChIKeyOXYRQXFESCBUDW-UHFFFAOYSA-N
XLogP3.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(aminosulphonyl)phenyl]ethyl]acetamide
CID 745994
N-(3-{[(4-methylphenyl)sulfonyl]amino}propyl)acetamide
CID 2186028
N-cyclohexyl-3-{4-[(isobutylamino)sulfonyl]phenyl}propanamide
CID 1210859
N-cycloheptyl-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
CID 2435085
1-(4-methylphenyl)sulfonyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide
CID 2450240
N-ethyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 3161026
N-cyclopropyl-1-[(4-methylphenyl)sulfonyl]-1,2,3,6-tetrahydropyridine-4-carboxamide
CID 3396878
3-(benzenesulfonamido)-N-(4-methylcyclohexyl)propanamide
CID 24687507
4-Methyl-N-(2-oxo-2-piperidin-1-yl-ethyl)-benzenesulfonamide
CID 751041
2-Propyl-pentanoic acid [2-(4-sulfamoyl-phenyl)-ethyl]-amide
CID 11099458
2-ethyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 889524
N-(4-Sulfamoylbenzyl)Pivalamide
CID 4447263

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]propanamide (CID 3218828) is 2,2-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]propanamide is CC(C)(C)C(=O)NC1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 2,2-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]propanamide?
The InChIKey is OXYRQXFESCBUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O3S/c1-16(2,3)15(23)21-13-8-10-22(11-9-13)26(24,25)14-6-4-12(5-7-14)17(18,19)20/h4-7,13H,8-11H2,1-3H3,(H,21,23).
What are the key properties of 2,2-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]propanamide?
2,2-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]propanamide has a molecular weight of 392.44 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]propanamide is sourced from PubChem (CID 3218828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).