2-benzhydrylsulfinyl-N-(2-methylpropyl)pyridine-3-carboxamide

C23H24N2O2S — CID 10500736

IUPAC2-benzhydrylsulfinyl-N-(2-methylpropyl)pyridine-3-carboxamide
SMILESCC(C)CNC(=O)c1cccnc1S(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24N2O2S/c1-17(2)16-25-22(26)20-14-9-15-24-23(20)28(27)21(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-15,17,21H,16H2,1-2H3,(H,25,26)
InChIKeyVYMHDRDZVJCNEN-UHFFFAOYSA-N
MW392.52 g/mol
LogP4.36
Rot. Bonds7

About 2-benzhydrylsulfinyl-N-(2-methylpropyl)pyridine-3-carboxamide

2-benzhydrylsulfinyl-N-(2-methylpropyl)pyridine-3-carboxamide (PubChem CID 10500736) has the molecular formula C23H24N2O2S and a molecular weight of 392.52 g/mol. Its IUPAC name is 2-benzhydrylsulfinyl-N-(2-methylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-benzhydrylsulfinyl-N-(2-methylpropyl)pyridine-3-carboxamide
PubChem CID10500736
Molecular FormulaC23H24N2O2S
Molecular Weight392.52 g/mol
Exact Mass392.16
IUPAC Name2-benzhydrylsulfinyl-N-(2-methylpropyl)pyridine-3-carboxamide
SMILESCC(C)CNC(=O)c1cccnc1S(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24N2O2S/c1-17(2)16-25-22(26)20-14-9-15-24-23(20)28(27)21(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-15,17,21H,16H2,1-2H3,(H,25,26)
InChIKeyVYMHDRDZVJCNEN-UHFFFAOYSA-N
XLogP4.36
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.52
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,3-diphenylpropyl)pyridine-3-carboxamide
CID 3530525
SX-517
CID 46897162
N-[3-(4-Fluorophenyl)-3-(4-methanesulfonyl-phenyl)-propyl]-nicotinamide
CID 44475062
N-cyclohexyl-2-propylsulfanylpyridine-3-carboxamide
CID 15016062
N3-(4-methylbenzyl)-2-[(3-chlorophenyl)thio]nicotinamide
CID 2799786
Nicofetamide
CID 3033975
N-(2-phenylethyl)-2-(phenylsulfanyl)-5-sulfamoylpyridine-3-carboxamide
CID 44201382
N-(3-methoxypropyl)-2-(phenylsulfanyl)-5-sulfamoylpyridine-3-carboxamide
CID 44201383
N-(4,4-Diphenyl-butyl)-nicotinamide
CID 44475209
6-cyano-N-[3-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)propyl]pyridine-3-carboxamide
CID 70690881
2-(methylsulfanyl)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 2088327
N-[2-(4-chlorophenyl)ethyl]-2-methylsulfanylpyridine-3-carboxamide
CID 2117002

Frequently Asked Questions

What is the IUPAC name of 2-benzhydrylsulfinyl-N-(2-methylpropyl)pyridine-3-carboxamide?
The IUPAC name of 2-benzhydrylsulfinyl-N-(2-methylpropyl)pyridine-3-carboxamide (CID 10500736) is 2-benzhydrylsulfinyl-N-(2-methylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-benzhydrylsulfinyl-N-(2-methylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 2-benzhydrylsulfinyl-N-(2-methylpropyl)pyridine-3-carboxamide is CC(C)CNC(=O)c1cccnc1S(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-benzhydrylsulfinyl-N-(2-methylpropyl)pyridine-3-carboxamide?
The InChIKey is VYMHDRDZVJCNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2S/c1-17(2)16-25-22(26)20-14-9-15-24-23(20)28(27)21(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-15,17,21H,16H2,1-2H3,(H,25,26).
What are the key properties of 2-benzhydrylsulfinyl-N-(2-methylpropyl)pyridine-3-carboxamide?
2-benzhydrylsulfinyl-N-(2-methylpropyl)pyridine-3-carboxamide has a molecular weight of 392.52 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydrylsulfinyl-N-(2-methylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 10500736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).