1-[(4-fluorophenyl)sulfonyl]-N-(1-methyl-3-phenylpropyl)-1,2,3,6-tetrahydropyridine-4-carboxamide

C22H25FN2O3S — CID 6622902

IUPAC1-(4-fluorophenyl)sulfonyl-N-(4-phenylbutan-2-yl)-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESCC(CCC1=CC=CC=C1)NC(=O)C2=CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F
InChIInChI=1S/C22H25FN2O3S/c1-17(7-8-18-5-3-2-4-6-18)24-22(26)19-13-15-25(16-14-19)29(27,28)21-11-9-20(23)10-12-21/h2-6,9-13,17H,7-8,14-16H2,1H3,(H,24,26)
InChIKeyIPCQKEVFWGLZJZ-UHFFFAOYSA-N
MW416.50 g/mol
LogP3.60
Rot. Bonds7

About 1-[(4-fluorophenyl)sulfonyl]-N-(1-methyl-3-phenylpropyl)-1,2,3,6-tetrahydropyridine-4-carboxamide

1-[(4-fluorophenyl)sulfonyl]-N-(1-methyl-3-phenylpropyl)-1,2,3,6-tetrahydropyridine-4-carboxamide (PubChem CID 6622902) has the molecular formula C22H25FN2O3S and a molecular weight of 416.50 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-N-(4-phenylbutan-2-yl)-3,6-dihydro-2H-pyridine-4-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)sulfonyl]-N-(1-methyl-3-phenylpropyl)-1,2,3,6-tetrahydropyridine-4-carboxamide
PubChem CID6622902
Molecular FormulaC22H25FN2O3S
Molecular Weight416.50 g/mol
Exact Mass416.16
IUPAC Name1-(4-fluorophenyl)sulfonyl-N-(4-phenylbutan-2-yl)-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESCC(CCC1=CC=CC=C1)NC(=O)C2=CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F
InChIInChI=1S/C22H25FN2O3S/c1-17(7-8-18-5-3-2-4-6-18)24-22(26)19-13-15-25(16-14-19)29(27,28)21-11-9-20(23)10-12-21/h2-6,9-13,17H,7-8,14-16H2,1H3,(H,24,26)
InChIKeyIPCQKEVFWGLZJZ-UHFFFAOYSA-N
XLogP3.60
TPSA74.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity675

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 1210859
(2S)-N-cyclohexyl-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide
CID 2129437
N-cyclopropyl-1-[(4-methylphenyl)sulfonyl]-1,2,3,6-tetrahydropyridine-4-carboxamide
CID 3396878
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4-Fluoro-N-[1-(4-fluoro-benzenesulfonyl)-piperidin-4-yl]-benzamide
CID 9821220
N-[1-(3-Fluoro-benzenesulfonyl)-piperidin-4-yl]-2-phenyl-acetamide
CID 646527
N-(2-phenylethyl)-1-(phenylsulfonyl)-4-piperidinecarboxamide
CID 1327814
N-[2-(1-cyclohexen-1-yl)ethyl]-2-{(2-fluorobenzyl)[(4-methylphenyl)sulfonyl]amino}acetamide
CID 1815035
N-cycloheptyl-1-[(4-fluorophenyl)sulfonyl]piperidine-4-carboxamide
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4-(dimethylsulfamoyl)-N-(1-phenylethyl)benzamide
CID 2914743

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)sulfonyl]-N-(1-methyl-3-phenylpropyl)-1,2,3,6-tetrahydropyridine-4-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)sulfonyl]-N-(1-methyl-3-phenylpropyl)-1,2,3,6-tetrahydropyridine-4-carboxamide (CID 6622902) is 1-(4-fluorophenyl)sulfonyl-N-(4-phenylbutan-2-yl)-3,6-dihydro-2H-pyridine-4-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)sulfonyl]-N-(1-methyl-3-phenylpropyl)-1,2,3,6-tetrahydropyridine-4-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)sulfonyl]-N-(1-methyl-3-phenylpropyl)-1,2,3,6-tetrahydropyridine-4-carboxamide is CC(CCC1=CC=CC=C1)NC(=O)C2=CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F.
What is the InChIKey of 1-[(4-fluorophenyl)sulfonyl]-N-(1-methyl-3-phenylpropyl)-1,2,3,6-tetrahydropyridine-4-carboxamide?
The InChIKey is IPCQKEVFWGLZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O3S/c1-17(7-8-18-5-3-2-4-6-18)24-22(26)19-13-15-25(16-14-19)29(27,28)21-11-9-20(23)10-12-21/h2-6,9-13,17H,7-8,14-16H2,1H3,(H,24,26).
What are the key properties of 1-[(4-fluorophenyl)sulfonyl]-N-(1-methyl-3-phenylpropyl)-1,2,3,6-tetrahydropyridine-4-carboxamide?
1-[(4-fluorophenyl)sulfonyl]-N-(1-methyl-3-phenylpropyl)-1,2,3,6-tetrahydropyridine-4-carboxamide has a molecular weight of 416.50 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)sulfonyl]-N-(1-methyl-3-phenylpropyl)-1,2,3,6-tetrahydropyridine-4-carboxamide is sourced from PubChem (CID 6622902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).