N-[5-(2-methoxy-5-methylanilino)-2-pyridinyl]-2-phenylethanesulfonamide

C21H23N3O3S — CID 113034482

IUPACN-[5-(2-methoxy-5-methylanilino)-2-pyridinyl]-2-phenylethanesulfonamide
SMILESCOc1ccc(C)cc1Nc1ccc(NS(=O)(=O)CCc2ccccc2)nc1
InChIInChI=1S/C21H23N3O3S/c1-16-8-10-20(27-2)19(14-16)23-18-9-11-21(22-15-18)24-28(25,26)13-12-17-6-4-3-5-7-17/h3-11,14-15,23H,12-13H2,1-2H3,(H,22,24)
InChIKeyOHDJVKYKGKLKMJ-UHFFFAOYSA-N
MW397.50 g/mol
LogP4.13
Rot. Bonds8

About N-[5-(2-methoxy-5-methylanilino)-2-pyridinyl]-2-phenylethanesulfonamide

N-[5-(2-methoxy-5-methylanilino)-2-pyridinyl]-2-phenylethanesulfonamide (PubChem CID 113034482) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-[5-(2-methoxy-5-methylanilino)-2-pyridinyl]-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-[5-(2-methoxy-5-methylanilino)-2-pyridinyl]-2-phenylethanesulfonamide
PubChem CID113034482
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC NameN-[5-(2-methoxy-5-methylanilino)-2-pyridinyl]-2-phenylethanesulfonamide
SMILESCOc1ccc(C)cc1Nc1ccc(NS(=O)(=O)CCc2ccccc2)nc1
InChIInChI=1S/C21H23N3O3S/c1-16-8-10-20(27-2)19(14-16)23-18-9-11-21(22-15-18)24-28(25,26)13-12-17-6-4-3-5-7-17/h3-11,14-15,23H,12-13H2,1-2H3,(H,22,24)
InChIKeyOHDJVKYKGKLKMJ-UHFFFAOYSA-N
XLogP4.13
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 ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(3,4-dimethylanilino)-2-pyridinyl]-2-phenylethanesulfonamide
CID 113032157
N-[5-(2,5-dimethylanilino)-2-pyridinyl]propane-1-sulfonamide
CID 113032063
N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]-2-phenylethanesulfonamide
CID 113011837
N-(5-anilino-2-pyridinyl)-3-phenylpropane-1-sulfonamide
CID 113031280
N-[5-(2,5-dimethylanilino)-2-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113032075
N-(2-methoxy-5-methylphenyl)-2-(2-phenylethylsulfonylamino)acetamide
CID 112998959
N-[6-(benzylamino)-3-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113011512
6-(2-methoxy-5-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158318
N-[4-(2-methoxy-5-methylanilino)phenyl]ethanesulfonamide
CID 112987760
N-[5-(2-fluoroanilino)-2-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113033057
N-[6-(2-methoxy-5-methylanilino)-3-pyridinyl]-3,4-dimethylbenzenesulfonamide
CID 113019808
6-(2-methoxy-5-methylanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 109160854

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methoxy-5-methylanilino)-2-pyridinyl]-2-phenylethanesulfonamide?
The IUPAC name of N-[5-(2-methoxy-5-methylanilino)-2-pyridinyl]-2-phenylethanesulfonamide (CID 113034482) is N-[5-(2-methoxy-5-methylanilino)-2-pyridinyl]-2-phenylethanesulfonamide.
What is the SMILES notation for N-[5-(2-methoxy-5-methylanilino)-2-pyridinyl]-2-phenylethanesulfonamide?
The canonical SMILES for N-[5-(2-methoxy-5-methylanilino)-2-pyridinyl]-2-phenylethanesulfonamide is COc1ccc(C)cc1Nc1ccc(NS(=O)(=O)CCc2ccccc2)nc1.
What is the InChIKey of N-[5-(2-methoxy-5-methylanilino)-2-pyridinyl]-2-phenylethanesulfonamide?
The InChIKey is OHDJVKYKGKLKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-16-8-10-20(27-2)19(14-16)23-18-9-11-21(22-15-18)24-28(25,26)13-12-17-6-4-3-5-7-17/h3-11,14-15,23H,12-13H2,1-2H3,(H,22,24).
What are the key properties of N-[5-(2-methoxy-5-methylanilino)-2-pyridinyl]-2-phenylethanesulfonamide?
N-[5-(2-methoxy-5-methylanilino)-2-pyridinyl]-2-phenylethanesulfonamide has a molecular weight of 397.50 g/mol, XLogP of 4.13, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methoxy-5-methylanilino)-2-pyridinyl]-2-phenylethanesulfonamide is sourced from PubChem (CID 113034482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).