N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-3-phenylpropane-1-sulfonamide

C22H25N3O2S — CID 113026569

IUPACN-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-3-phenylpropane-1-sulfonamide
SMILESCc1ccccc1CNc1ccc(NS(=O)(=O)CCCc2ccccc2)nc1
InChIInChI=1S/C22H25N3O2S/c1-18-8-5-6-12-20(18)16-23-21-13-14-22(24-17-21)25-28(26,27)15-7-11-19-9-3-2-4-10-19/h2-6,8-10,12-14,17,23H,7,11,15-16H2,1H3,(H,24,25)
InChIKeyDDIIXJPHXCWUOG-UHFFFAOYSA-N
MW395.53 g/mol
LogP4.38
Rot. Bonds9

About N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-3-phenylpropane-1-sulfonamide

N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-3-phenylpropane-1-sulfonamide (PubChem CID 113026569) 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]-3-phenylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-3-phenylpropane-1-sulfonamide
PubChem CID113026569
Molecular FormulaC22H25N3O2S
Molecular Weight395.53 g/mol
Exact Mass395.17
IUPAC NameN-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-3-phenylpropane-1-sulfonamide
SMILESCc1ccccc1CNc1ccc(NS(=O)(=O)CCCc2ccccc2)nc1
InChIInChI=1S/C22H25N3O2S/c1-18-8-5-6-12-20(18)16-23-21-13-14-22(24-17-21)25-28(26,27)15-7-11-19-9-3-2-4-10-19/h2-6,8-10,12-14,17,23H,7,11,15-16H2,1H3,(H,24,25)
InChIKeyDDIIXJPHXCWUOG-UHFFFAOYSA-N
XLogP4.38
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]-3-phenylpropane-1-sulfonamide
CID 113027066
N-(5-anilino-2-pyridinyl)-3-phenylpropane-1-sulfonamide
CID 113031280
N-[6-(2-ethylanilino)-3-pyridinyl]-3-phenylpropane-1-sulfonamide
CID 113017433
2-(2-methylphenyl)-N-[5-(3-phenylpropylamino)-2-pyridinyl]acetamide
CID 113029843
N-[5-(3,4-dimethylanilino)-2-pyridinyl]-2-phenylethanesulfonamide
CID 113032157
N-[4-[(2-methylphenyl)methylamino]phenyl]butane-1-sulfonamide
CID 112982043
N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]methanesulfonamide
CID 113011606
2,4-dimethyl-N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide
CID 113026553
N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]-2-phenylethanesulfonamide
CID 113011837
N-[5-(2-methylanilino)-2-pyridinyl]butane-1-sulfonamide
CID 113031365
N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 113026556
N-[6-(butylamino)-3-pyridinyl]-2-phenylethanesulfonamide
CID 113009555

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-3-phenylpropane-1-sulfonamide?
The IUPAC name of N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-3-phenylpropane-1-sulfonamide (CID 113026569) is N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-3-phenylpropane-1-sulfonamide.
What is the SMILES notation for N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-3-phenylpropane-1-sulfonamide?
The canonical SMILES for N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-3-phenylpropane-1-sulfonamide is Cc1ccccc1CNc1ccc(NS(=O)(=O)CCCc2ccccc2)nc1.
What is the InChIKey of N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-3-phenylpropane-1-sulfonamide?
The InChIKey is DDIIXJPHXCWUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2S/c1-18-8-5-6-12-20(18)16-23-21-13-14-22(24-17-21)25-28(26,27)15-7-11-19-9-3-2-4-10-19/h2-6,8-10,12-14,17,23H,7,11,15-16H2,1H3,(H,24,25).
What are the key properties of N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-3-phenylpropane-1-sulfonamide?
N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-3-phenylpropane-1-sulfonamide has a molecular weight of 395.53 g/mol, XLogP of 4.38, 9 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]-3-phenylpropane-1-sulfonamide is sourced from PubChem (CID 113026569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).