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

C18H26N2O3S — CID 5075017

IUPACN-(3-methylbutyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CC=C(C(=O)NCCC(C)C)CC2)cc1
InChIInChI=1S/C18H26N2O3S/c1-14(2)8-11-19-18(21)16-9-12-20(13-10-16)24(22,23)17-6-4-15(3)5-7-17/h4-7,9,14H,8,10-13H2,1-3H3,(H,19,21)
InChIKeyOQKURJYQSJENTA-UHFFFAOYSA-N
MW350.48 g/mol
LogP2.48
Rot. Bonds6

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

N-(3-methylbutyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide (PubChem CID 5075017) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is N-(3-methylbutyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide
PubChem CID5075017
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC NameN-(3-methylbutyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CC=C(C(=O)NCCC(C)C)CC2)cc1
InChIInChI=1S/C18H26N2O3S/c1-14(2)8-11-19-18(21)16-9-12-20(13-10-16)24(22,23)17-6-4-15(3)5-7-17/h4-7,9,14H,8,10-13H2,1-3H3,(H,19,21)
InChIKeyOQKURJYQSJENTA-UHFFFAOYSA-N
XLogP2.48
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide?
The IUPAC name of N-(3-methylbutyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide (CID 5075017) is N-(3-methylbutyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CC=C(C(=O)NCCC(C)C)CC2)cc1.
What is the InChIKey of N-(3-methylbutyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide?
The InChIKey is OQKURJYQSJENTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-14(2)8-11-19-18(21)16-9-12-20(13-10-16)24(22,23)17-6-4-15(3)5-7-17/h4-7,9,14H,8,10-13H2,1-3H3,(H,19,21).
What are the key properties of N-(3-methylbutyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide?
N-(3-methylbutyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide has a molecular weight of 350.48 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide is sourced from PubChem (CID 5075017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).