1-(4-methoxyphenyl)sulfonyl-N-(3-methoxypropyl)-3,6-dihydro-2H-pyridine-4-carboxamide

C17H24N2O5S — CID 20881514

IUPAC1-(4-methoxyphenyl)sulfonyl-N-(3-methoxypropyl)-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESCOCCCNC(=O)C1=CCN(S(=O)(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C17H24N2O5S/c1-23-13-3-10-18-17(20)14-8-11-19(12-9-14)25(21,22)16-6-4-15(24-2)5-7-16/h4-8H,3,9-13H2,1-2H3,(H,18,20)
InChIKeyKUSLWNFEQOPSPM-UHFFFAOYSA-N
MW368.46 g/mol
LogP1.17
Rot. Bonds8

About 1-(4-methoxyphenyl)sulfonyl-N-(3-methoxypropyl)-3,6-dihydro-2H-pyridine-4-carboxamide

1-(4-methoxyphenyl)sulfonyl-N-(3-methoxypropyl)-3,6-dihydro-2H-pyridine-4-carboxamide (PubChem CID 20881514) has the molecular formula C17H24N2O5S and a molecular weight of 368.46 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-N-(3-methoxypropyl)-3,6-dihydro-2H-pyridine-4-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-N-(3-methoxypropyl)-3,6-dihydro-2H-pyridine-4-carboxamide
PubChem CID20881514
Molecular FormulaC17H24N2O5S
Molecular Weight368.46 g/mol
Exact Mass368.14
IUPAC Name1-(4-methoxyphenyl)sulfonyl-N-(3-methoxypropyl)-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESCOCCCNC(=O)C1=CCN(S(=O)(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C17H24N2O5S/c1-23-13-3-10-18-17(20)14-8-11-19(12-9-14)25(21,22)16-6-4-15(24-2)5-7-16/h4-8H,3,9-13H2,1-2H3,(H,18,20)
InChIKeyKUSLWNFEQOPSPM-UHFFFAOYSA-N
XLogP1.17
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-N-(3-methoxypropyl)-3,6-dihydro-2H-pyridine-4-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-N-(3-methoxypropyl)-3,6-dihydro-2H-pyridine-4-carboxamide (CID 20881514) is 1-(4-methoxyphenyl)sulfonyl-N-(3-methoxypropyl)-3,6-dihydro-2H-pyridine-4-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-N-(3-methoxypropyl)-3,6-dihydro-2H-pyridine-4-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-N-(3-methoxypropyl)-3,6-dihydro-2H-pyridine-4-carboxamide is COCCCNC(=O)C1=CCN(S(=O)(=O)c2ccc(OC)cc2)CC1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-N-(3-methoxypropyl)-3,6-dihydro-2H-pyridine-4-carboxamide?
The InChIKey is KUSLWNFEQOPSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5S/c1-23-13-3-10-18-17(20)14-8-11-19(12-9-14)25(21,22)16-6-4-15(24-2)5-7-16/h4-8H,3,9-13H2,1-2H3,(H,18,20).
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-N-(3-methoxypropyl)-3,6-dihydro-2H-pyridine-4-carboxamide?
1-(4-methoxyphenyl)sulfonyl-N-(3-methoxypropyl)-3,6-dihydro-2H-pyridine-4-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 1.17, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-N-(3-methoxypropyl)-3,6-dihydro-2H-pyridine-4-carboxamide is sourced from PubChem (CID 20881514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).