1-(benzenesulfonyl)-N-(2-phenylethyl)-3,6-dihydro-2H-pyridine-4-carboxamide

C20H22N2O3S — CID 6622941

IUPAC1-(benzenesulfonyl)-N-(2-phenylethyl)-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESO=C(NCCc1ccccc1)C1=CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C20H22N2O3S/c23-20(21-14-11-17-7-3-1-4-8-17)18-12-15-22(16-13-18)26(24,25)19-9-5-2-6-10-19/h1-10,12H,11,13-16H2,(H,21,23)
InChIKeyHEUDXYFPKPJPJZ-UHFFFAOYSA-N
MW370.47 g/mol
LogP2.37
Rot. Bonds6

About 1-(benzenesulfonyl)-N-(2-phenylethyl)-3,6-dihydro-2H-pyridine-4-carboxamide

1-(benzenesulfonyl)-N-(2-phenylethyl)-3,6-dihydro-2H-pyridine-4-carboxamide (PubChem CID 6622941) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-(2-phenylethyl)-3,6-dihydro-2H-pyridine-4-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-(2-phenylethyl)-3,6-dihydro-2H-pyridine-4-carboxamide
PubChem CID6622941
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Name1-(benzenesulfonyl)-N-(2-phenylethyl)-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESO=C(NCCc1ccccc1)C1=CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C20H22N2O3S/c23-20(21-14-11-17-7-3-1-4-8-17)18-12-15-22(16-13-18)26(24,25)19-9-5-2-6-10-19/h1-10,12H,11,13-16H2,(H,21,23)
InChIKeyHEUDXYFPKPJPJZ-UHFFFAOYSA-N
XLogP2.37
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-(2-phenylethyl)-3,6-dihydro-2H-pyridine-4-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-(2-phenylethyl)-3,6-dihydro-2H-pyridine-4-carboxamide (CID 6622941) is 1-(benzenesulfonyl)-N-(2-phenylethyl)-3,6-dihydro-2H-pyridine-4-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-(2-phenylethyl)-3,6-dihydro-2H-pyridine-4-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-(2-phenylethyl)-3,6-dihydro-2H-pyridine-4-carboxamide is O=C(NCCc1ccccc1)C1=CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-N-(2-phenylethyl)-3,6-dihydro-2H-pyridine-4-carboxamide?
The InChIKey is HEUDXYFPKPJPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c23-20(21-14-11-17-7-3-1-4-8-17)18-12-15-22(16-13-18)26(24,25)19-9-5-2-6-10-19/h1-10,12H,11,13-16H2,(H,21,23).
What are the key properties of 1-(benzenesulfonyl)-N-(2-phenylethyl)-3,6-dihydro-2H-pyridine-4-carboxamide?
1-(benzenesulfonyl)-N-(2-phenylethyl)-3,6-dihydro-2H-pyridine-4-carboxamide has a molecular weight of 370.47 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-(2-phenylethyl)-3,6-dihydro-2H-pyridine-4-carboxamide is sourced from PubChem (CID 6622941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).