N-benzyl-1-[5-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]methanesulfonamide

C26H32N4O3S — CID 25174317

IUPACN-benzyl-1-[5-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]methanesulfonamide
SMILESCN1CCN(CCOc2ccc(-c3ccc(CS(=O)(=O)NCc4ccccc4)nc3)cc2)CC1
InChIInChI=1S/C26H32N4O3S/c1-29-13-15-30(16-14-29)17-18-33-26-11-8-23(9-12-26)24-7-10-25(27-20-24)21-34(31,32)28-19-22-5-3-2-4-6-22/h2-12,20,28H,13-19,21H2,1H3
InChIKeyVTRMAEFDDDFHLP-UHFFFAOYSA-N
MW480.63 g/mol
LogP2.99
Rot. Bonds10

About N-benzyl-1-[5-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]methanesulfonamide

N-benzyl-1-[5-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]methanesulfonamide (PubChem CID 25174317) has the molecular formula C26H32N4O3S and a molecular weight of 480.63 g/mol. Its IUPAC name is N-benzyl-1-[5-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-benzyl-1-[5-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]methanesulfonamide
PubChem CID25174317
Molecular FormulaC26H32N4O3S
Molecular Weight480.63 g/mol
Exact Mass480.22
IUPAC NameN-benzyl-1-[5-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]methanesulfonamide
SMILESCN1CCN(CCOc2ccc(-c3ccc(CS(=O)(=O)NCc4ccccc4)nc3)cc2)CC1
InChIInChI=1S/C26H32N4O3S/c1-29-13-15-30(16-14-29)17-18-33-26-11-8-23(9-12-26)24-7-10-25(27-20-24)21-34(31,32)28-19-22-5-3-2-4-6-22/h2-12,20,28H,13-19,21H2,1H3
InChIKeyVTRMAEFDDDFHLP-UHFFFAOYSA-N
XLogP2.99
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.63
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[5-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]methanesulfonamide?
The IUPAC name of N-benzyl-1-[5-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]methanesulfonamide (CID 25174317) is N-benzyl-1-[5-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-benzyl-1-[5-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]methanesulfonamide?
The canonical SMILES for N-benzyl-1-[5-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]methanesulfonamide is CN1CCN(CCOc2ccc(-c3ccc(CS(=O)(=O)NCc4ccccc4)nc3)cc2)CC1.
What is the InChIKey of N-benzyl-1-[5-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]methanesulfonamide?
The InChIKey is VTRMAEFDDDFHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3S/c1-29-13-15-30(16-14-29)17-18-33-26-11-8-23(9-12-26)24-7-10-25(27-20-24)21-34(31,32)28-19-22-5-3-2-4-6-22/h2-12,20,28H,13-19,21H2,1H3.
What are the key properties of N-benzyl-1-[5-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]methanesulfonamide?
N-benzyl-1-[5-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]methanesulfonamide has a molecular weight of 480.63 g/mol, XLogP of 2.99, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[5-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]methanesulfonamide is sourced from PubChem (CID 25174317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).