N-[5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]-3-methylbenzenesulfonamide

C21H23N3O3S — CID 113028450

IUPACN-[5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]-3-methylbenzenesulfonamide
SMILESCOc1cccc(CCNc2ccc(NS(=O)(=O)c3cccc(C)c3)nc2)c1
InChIInChI=1S/C21H23N3O3S/c1-16-5-3-8-20(13-16)28(25,26)24-21-10-9-18(15-23-21)22-12-11-17-6-4-7-19(14-17)27-2/h3-10,13-15,22H,11-12H2,1-2H3,(H,23,24)
InChIKeyMAADGDDXVNWMEB-UHFFFAOYSA-N
MW397.50 g/mol
LogP3.85
Rot. Bonds8

About N-[5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]-3-methylbenzenesulfonamide

N-[5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]-3-methylbenzenesulfonamide (PubChem CID 113028450) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-[5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]-3-methylbenzenesulfonamide
PubChem CID113028450
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC NameN-[5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]-3-methylbenzenesulfonamide
SMILESCOc1cccc(CCNc2ccc(NS(=O)(=O)c3cccc(C)c3)nc2)c1
InChIInChI=1S/C21H23N3O3S/c1-16-5-3-8-20(13-16)28(25,26)24-21-10-9-18(15-23-21)22-12-11-17-6-4-7-19(14-17)27-2/h3-10,13-15,22H,11-12H2,1-2H3,(H,23,24)
InChIKeyMAADGDDXVNWMEB-UHFFFAOYSA-N
XLogP3.85
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]methanesulfonamide
CID 113028442
N-[5-(tert-butylamino)-2-pyridinyl]-3-methylbenzenesulfonamide
CID 113030068
5-[2-(3-methoxyphenyl)ethylamino]-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109192679
6-methoxy-N-[2-(3-methoxyphenyl)ethyl]pyridin-3-amine
CID 23440804
N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]-3-methylbenzenesulfonamide
CID 113027064
5-methoxy-N-[2-(3-methoxyphenyl)ethyl]pyridin-2-amine
CID 104861065
3-methyl-N-[6-(pentylamino)-3-pyridinyl]benzenesulfonamide
CID 113015298
N-[5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]cyclopropanecarboxamide
CID 113028392
N-[5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]-3,4-dimethylbenzamide
CID 113028411
N-[5-(3-phenylpropylamino)-2-pyridinyl]benzenesulfonamide
CID 113029860
N-[6-(4-methoxyanilino)pyridazin-3-yl]-3-methylbenzenesulfonamide
CID 113048363
N-[5-(cyclopentylamino)-2-pyridinyl]-3-methylbenzenesulfonamide
CID 113024541

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]-3-methylbenzenesulfonamide?
The IUPAC name of N-[5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]-3-methylbenzenesulfonamide (CID 113028450) is N-[5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]-3-methylbenzenesulfonamide?
The canonical SMILES for N-[5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]-3-methylbenzenesulfonamide is COc1cccc(CCNc2ccc(NS(=O)(=O)c3cccc(C)c3)nc2)c1.
What is the InChIKey of N-[5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]-3-methylbenzenesulfonamide?
The InChIKey is MAADGDDXVNWMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-16-5-3-8-20(13-16)28(25,26)24-21-10-9-18(15-23-21)22-12-11-17-6-4-7-19(14-17)27-2/h3-10,13-15,22H,11-12H2,1-2H3,(H,23,24).
What are the key properties of N-[5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]-3-methylbenzenesulfonamide?
N-[5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]-3-methylbenzenesulfonamide has a molecular weight of 397.50 g/mol, XLogP of 3.85, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 113028450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).