N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide

C22H25N3O2S — CID 113026556

IUPACN-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide
SMILESCc1ccccc1CNc1ccc(NS(=O)(=O)c2ccc(C(C)C)cc2)nc1
InChIInChI=1S/C22H25N3O2S/c1-16(2)18-8-11-21(12-9-18)28(26,27)25-22-13-10-20(15-24-22)23-14-19-7-5-4-6-17(19)3/h4-13,15-16,23H,14H2,1-3H3,(H,24,25)
InChIKeyAAVANJDPTGAWTH-UHFFFAOYSA-N
MW395.53 g/mol
LogP4.93
Rot. Bonds7

About N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide

N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide (PubChem CID 113026556) has the molecular formula C22H25N3O2S and a molecular weight of 395.53 g/mol. Its IUPAC name is N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide
PubChem CID113026556
Molecular FormulaC22H25N3O2S
Molecular Weight395.53 g/mol
Exact Mass395.17
IUPAC NameN-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide
SMILESCc1ccccc1CNc1ccc(NS(=O)(=O)c2ccc(C(C)C)cc2)nc1
InChIInChI=1S/C22H25N3O2S/c1-16(2)18-8-11-21(12-9-18)28(26,27)25-22-13-10-20(15-24-22)23-14-19-7-5-4-6-17(19)3/h4-13,15-16,23H,14H2,1-3H3,(H,24,25)
InChIKeyAAVANJDPTGAWTH-UHFFFAOYSA-N
XLogP4.93
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-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

Related Compounds

N-[5-(furan-2-ylmethylamino)-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 113026320
N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-1,3-benzodioxole-5-sulfonamide
CID 113026562
N-[5-(4-propan-2-ylanilino)-2-pyridinyl]benzenesulfonamide
CID 113032795
N-[6-(2-methylanilino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 113016162
2,4-dimethyl-N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide
CID 113026553
4-ethoxy-N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]benzenesulfonamide
CID 113011637
N-[6-(2,3-dimethylanilino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 113017322
2-methoxy-5-methyl-N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide
CID 113026561
2-methyl-N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]propanamide
CID 113026479
N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]methanesulfonamide
CID 113011606
4-propan-2-yl-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]benzenesulfonamide
CID 113012969
N-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]-4-methylbenzenesulfonamide
CID 113012405

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide (CID 113026556) is N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide is Cc1ccccc1CNc1ccc(NS(=O)(=O)c2ccc(C(C)C)cc2)nc1.
What is the InChIKey of N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide?
The InChIKey is AAVANJDPTGAWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2S/c1-16(2)18-8-11-21(12-9-18)28(26,27)25-22-13-10-20(15-24-22)23-14-19-7-5-4-6-17(19)3/h4-13,15-16,23H,14H2,1-3H3,(H,24,25).
What are the key properties of N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide?
N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide has a molecular weight of 395.53 g/mol, XLogP of 4.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 113026556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).