N-cyclopentyl-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide

C18H24N2O3S — CID 4232718

IUPACN-cyclopentyl-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CC=C(C(=O)NC3CCCC3)CC2)cc1
InChIInChI=1S/C18H24N2O3S/c1-14-6-8-17(9-7-14)24(22,23)20-12-10-15(11-13-20)18(21)19-16-4-2-3-5-16/h6-10,16H,2-5,11-13H2,1H3,(H,19,21)
InChIKeyVRJDLNZREVJGOB-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.37
Rot. Bonds4

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

N-cyclopentyl-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide (PubChem CID 4232718) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is N-cyclopentyl-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide
PubChem CID4232718
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC NameN-cyclopentyl-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CC=C(C(=O)NC3CCCC3)CC2)cc1
InChIInChI=1S/C18H24N2O3S/c1-14-6-8-17(9-7-14)24(22,23)20-12-10-15(11-13-20)18(21)19-16-4-2-3-5-16/h6-10,16H,2-5,11-13H2,1H3,(H,19,21)
InChIKeyVRJDLNZREVJGOB-UHFFFAOYSA-N
XLogP2.37
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide?
The IUPAC name of N-cyclopentyl-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide (CID 4232718) is N-cyclopentyl-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide?
The canonical SMILES for N-cyclopentyl-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CC=C(C(=O)NC3CCCC3)CC2)cc1.
What is the InChIKey of N-cyclopentyl-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide?
The InChIKey is VRJDLNZREVJGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-14-6-8-17(9-7-14)24(22,23)20-12-10-15(11-13-20)18(21)19-16-4-2-3-5-16/h6-10,16H,2-5,11-13H2,1H3,(H,19,21).
What are the key properties of N-cyclopentyl-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide?
N-cyclopentyl-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide has a molecular weight of 348.47 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide is sourced from PubChem (CID 4232718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).