1-(4-methylphenyl)sulfonyl-N-(6-methyl-2-pyridinyl)cyclobutane-1-carboxamide

C18H20N2O3S — CID 51096728

IUPAC1-(4-methylphenyl)sulfonyl-N-(6-methyl-2-pyridinyl)cyclobutane-1-carboxamide
SMILESCc1ccc(S(=O)(=O)C2(C(=O)Nc3cccc(C)n3)CCC2)cc1
InChIInChI=1S/C18H20N2O3S/c1-13-7-9-15(10-8-13)24(22,23)18(11-4-12-18)17(21)20-16-6-3-5-14(2)19-16/h3,5-10H,4,11-12H2,1-2H3,(H,19,20,21)
InChIKeyFRDBFYSQBFNQGU-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.03
Rot. Bonds4

About 1-(4-methylphenyl)sulfonyl-N-(6-methyl-2-pyridinyl)cyclobutane-1-carboxamide

1-(4-methylphenyl)sulfonyl-N-(6-methyl-2-pyridinyl)cyclobutane-1-carboxamide (PubChem CID 51096728) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-N-(6-methyl-2-pyridinyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-N-(6-methyl-2-pyridinyl)cyclobutane-1-carboxamide
PubChem CID51096728
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name1-(4-methylphenyl)sulfonyl-N-(6-methyl-2-pyridinyl)cyclobutane-1-carboxamide
SMILESCc1ccc(S(=O)(=O)C2(C(=O)Nc3cccc(C)n3)CCC2)cc1
InChIInChI=1S/C18H20N2O3S/c1-13-7-9-15(10-8-13)24(22,23)18(11-4-12-18)17(21)20-16-6-3-5-14(2)19-16/h3,5-10H,4,11-12H2,1-2H3,(H,19,20,21)
InChIKeyFRDBFYSQBFNQGU-UHFFFAOYSA-N
XLogP3.03
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-methylphenyl)sulfonyl-N-(6-methyl-2-pyridinyl)cyclobutane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-N-(6-methyl-2-pyridinyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-N-(6-methyl-2-pyridinyl)cyclobutane-1-carboxamide (CID 51096728) is 1-(4-methylphenyl)sulfonyl-N-(6-methyl-2-pyridinyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-N-(6-methyl-2-pyridinyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-N-(6-methyl-2-pyridinyl)cyclobutane-1-carboxamide is Cc1ccc(S(=O)(=O)C2(C(=O)Nc3cccc(C)n3)CCC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-N-(6-methyl-2-pyridinyl)cyclobutane-1-carboxamide?
The InChIKey is FRDBFYSQBFNQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-13-7-9-15(10-8-13)24(22,23)18(11-4-12-18)17(21)20-16-6-3-5-14(2)19-16/h3,5-10H,4,11-12H2,1-2H3,(H,19,20,21).
What are the key properties of 1-(4-methylphenyl)sulfonyl-N-(6-methyl-2-pyridinyl)cyclobutane-1-carboxamide?
1-(4-methylphenyl)sulfonyl-N-(6-methyl-2-pyridinyl)cyclobutane-1-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-N-(6-methyl-2-pyridinyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 51096728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).