N-cyclohexyl-N-[(2,2-dimethylpyrano[2,3-c]pyridin-6-yl)methyl]-4-propan-2-ylbenzenesulfonamide

C26H34N2O3S — CID 56926595

IUPACN-cyclohexyl-N-[(2,2-dimethylpyrano[2,3-c]pyridin-6-yl)methyl]-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)N(Cc2cc3c(cn2)OC(C)(C)C=C3)C2CCCCC2)cc1
InChIInChI=1S/C26H34N2O3S/c1-19(2)20-10-12-24(13-11-20)32(29,30)28(23-8-6-5-7-9-23)18-22-16-21-14-15-26(3,4)31-25(21)17-27-22/h10-17,19,23H,5-9,18H2,1-4H3
InChIKeyJUQZHNJYLVFLHL-UHFFFAOYSA-N
MW454.64 g/mol
LogP5.91
Rot. Bonds6

About N-cyclohexyl-N-[(2,2-dimethylpyrano[2,3-c]pyridin-6-yl)methyl]-4-propan-2-ylbenzenesulfonamide

N-cyclohexyl-N-[(2,2-dimethylpyrano[2,3-c]pyridin-6-yl)methyl]-4-propan-2-ylbenzenesulfonamide (PubChem CID 56926595) has the molecular formula C26H34N2O3S and a molecular weight of 454.64 g/mol. Its IUPAC name is N-cyclohexyl-N-[(2,2-dimethylpyrano[2,3-c]pyridin-6-yl)methyl]-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[(2,2-dimethylpyrano[2,3-c]pyridin-6-yl)methyl]-4-propan-2-ylbenzenesulfonamide
PubChem CID56926595
Molecular FormulaC26H34N2O3S
Molecular Weight454.64 g/mol
Exact Mass454.23
IUPAC NameN-cyclohexyl-N-[(2,2-dimethylpyrano[2,3-c]pyridin-6-yl)methyl]-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)N(Cc2cc3c(cn2)OC(C)(C)C=C3)C2CCCCC2)cc1
InChIInChI=1S/C26H34N2O3S/c1-19(2)20-10-12-24(13-11-20)32(29,30)28(23-8-6-5-7-9-23)18-22-16-21-14-15-26(3,4)31-25(21)17-27-22/h10-17,19,23H,5-9,18H2,1-4H3
InChIKeyJUQZHNJYLVFLHL-UHFFFAOYSA-N
XLogP5.91
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.64
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-cyclohexyl-N-[(2,2-dimethylpyrano[2,3-c]pyridin-6-yl)methyl]-4-propan-2-ylbenzenesulfonamide 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 N-cyclohexyl-N-[(2,2-dimethylpyrano[2,3-c]pyridin-6-yl)methyl]-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-cyclohexyl-N-[(2,2-dimethylpyrano[2,3-c]pyridin-6-yl)methyl]-4-propan-2-ylbenzenesulfonamide (CID 56926595) is N-cyclohexyl-N-[(2,2-dimethylpyrano[2,3-c]pyridin-6-yl)methyl]-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-N-[(2,2-dimethylpyrano[2,3-c]pyridin-6-yl)methyl]-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-cyclohexyl-N-[(2,2-dimethylpyrano[2,3-c]pyridin-6-yl)methyl]-4-propan-2-ylbenzenesulfonamide is CC(C)c1ccc(S(=O)(=O)N(Cc2cc3c(cn2)OC(C)(C)C=C3)C2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-N-[(2,2-dimethylpyrano[2,3-c]pyridin-6-yl)methyl]-4-propan-2-ylbenzenesulfonamide?
The InChIKey is JUQZHNJYLVFLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O3S/c1-19(2)20-10-12-24(13-11-20)32(29,30)28(23-8-6-5-7-9-23)18-22-16-21-14-15-26(3,4)31-25(21)17-27-22/h10-17,19,23H,5-9,18H2,1-4H3.
What are the key properties of N-cyclohexyl-N-[(2,2-dimethylpyrano[2,3-c]pyridin-6-yl)methyl]-4-propan-2-ylbenzenesulfonamide?
N-cyclohexyl-N-[(2,2-dimethylpyrano[2,3-c]pyridin-6-yl)methyl]-4-propan-2-ylbenzenesulfonamide has a molecular weight of 454.64 g/mol, XLogP of 5.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[(2,2-dimethylpyrano[2,3-c]pyridin-6-yl)methyl]-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 56926595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).