1-(4-fluorophenyl)sulfonyl-N-(4-phenylbutan-2-yl)-3,6-dihydro-2H-pyridine-4-carboxamide

C22H25FN2O3S — CID 6622902

IUPAC1-(4-fluorophenyl)sulfonyl-N-(4-phenylbutan-2-yl)-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)C1=CCN(S(=O)(=O)c2ccc(F)cc2)CC1
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
MW416.52 g/mol
LogP3.28
Rot. Bonds7

About 1-(4-fluorophenyl)sulfonyl-N-(4-phenylbutan-2-yl)-3,6-dihydro-2H-pyridine-4-carboxamide

1-(4-fluorophenyl)sulfonyl-N-(4-phenylbutan-2-yl)-3,6-dihydro-2H-pyridine-4-carboxamide (PubChem CID 6622902) has the molecular formula C22H25FN2O3S and a molecular weight of 416.52 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-(4-phenylbutan-2-yl)-3,6-dihydro-2H-pyridine-4-carboxamide
PubChem CID6622902
Molecular FormulaC22H25FN2O3S
Molecular Weight416.52 g/mol
Exact Mass416.16
IUPAC Name1-(4-fluorophenyl)sulfonyl-N-(4-phenylbutan-2-yl)-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)C1=CCN(S(=O)(=O)c2ccc(F)cc2)CC1
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
XLogP3.28
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-(4-phenylbutan-2-yl)-3,6-dihydro-2H-pyridine-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-(4-phenylbutan-2-yl)-3,6-dihydro-2H-pyridine-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-(4-phenylbutan-2-yl)-3,6-dihydro-2H-pyridine-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-N-(4-phenylbutan-2-yl)-3,6-dihydro-2H-pyridine-4-carboxamide is CC(CCc1ccccc1)NC(=O)C1=CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-N-(4-phenylbutan-2-yl)-3,6-dihydro-2H-pyridine-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-(4-phenylbutan-2-yl)-3,6-dihydro-2H-pyridine-4-carboxamide?
1-(4-fluorophenyl)sulfonyl-N-(4-phenylbutan-2-yl)-3,6-dihydro-2H-pyridine-4-carboxamide has a molecular weight of 416.52 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-N-(4-phenylbutan-2-yl)-3,6-dihydro-2H-pyridine-4-carboxamide is sourced from PubChem (CID 6622902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).