N-[3-methoxy-5-[2-methyl-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]phenyl]methanesulfonamide

C24H28N4O3S — CID 135348481

IUPACN-[3-methoxy-5-[2-methyl-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]phenyl]methanesulfonamide
SMILESCOc1cc(NS(C)(=O)=O)cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2C)c1
InChIInChI=1S/C24H28N4O3S/c1-17-24(19-12-21(27-32(3,29)30)15-23(13-19)31-2)14-20(16-26-17)18-4-6-22(7-5-18)28-10-8-25-9-11-28/h4-7,12-16,25,27H,8-11H2,1-3H3
InChIKeyZBGCUGHOUSPKBA-UHFFFAOYSA-N
MW452.58 g/mol
LogP3.51
Rot. Bonds6

About N-[3-methoxy-5-[2-methyl-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]phenyl]methanesulfonamide

N-[3-methoxy-5-[2-methyl-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]phenyl]methanesulfonamide (PubChem CID 135348481) has the molecular formula C24H28N4O3S and a molecular weight of 452.58 g/mol. Its IUPAC name is N-[3-methoxy-5-[2-methyl-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-methoxy-5-[2-methyl-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]phenyl]methanesulfonamide
PubChem CID135348481
Molecular FormulaC24H28N4O3S
Molecular Weight452.58 g/mol
Exact Mass452.19
IUPAC NameN-[3-methoxy-5-[2-methyl-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]phenyl]methanesulfonamide
SMILESCOc1cc(NS(C)(=O)=O)cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2C)c1
InChIInChI=1S/C24H28N4O3S/c1-17-24(19-12-21(27-32(3,29)30)15-23(13-19)31-2)14-20(16-26-17)18-4-6-22(7-5-18)28-10-8-25-9-11-28/h4-7,12-16,25,27H,8-11H2,1-3H3
InChIKeyZBGCUGHOUSPKBA-UHFFFAOYSA-N
XLogP3.51
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Ripk2-IN-1
CID 135348339
N-(5-(2-Amino-5-(4-(piperazin-1-yl)phenyl)pyridin-3-yl)-2,3-dimethoxyphenyl)propane-1-sulfonamide
CID 134817211
3-(3-Methoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine
CID 118392573
1-[4-[5-(3,5-Dimethoxyphenyl)-3-pyridinyl]phenyl]piperazine
CID 118392585
N-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-methoxyphenyl]propane-1-sulfonamide
CID 135348299
N-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-ethoxyphenyl]propane-2-sulfonamide
CID 135348319
N-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-methoxyphenyl]propane-2-sulfonamide
CID 135348359
N-[3-methoxy-5-[2-methyl-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]phenyl]propane-2-sulfonamide
CID 135348363
N-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-propan-2-yloxyphenyl]propane-2-sulfonamide
CID 135348417
N-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-methoxyphenyl]benzenesulfonamide
CID 135348431
N-[3-methoxy-5-[2-methyl-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]phenyl]ethanesulfonamide
CID 135348442
N-[3-methoxy-5-[2-methyl-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]phenyl]propane-1-sulfonamide
CID 135348449

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-5-[2-methyl-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-methoxy-5-[2-methyl-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]phenyl]methanesulfonamide (CID 135348481) is N-[3-methoxy-5-[2-methyl-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-methoxy-5-[2-methyl-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-methoxy-5-[2-methyl-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]phenyl]methanesulfonamide is COc1cc(NS(C)(=O)=O)cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2C)c1.
What is the InChIKey of N-[3-methoxy-5-[2-methyl-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]phenyl]methanesulfonamide?
The InChIKey is ZBGCUGHOUSPKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3S/c1-17-24(19-12-21(27-32(3,29)30)15-23(13-19)31-2)14-20(16-26-17)18-4-6-22(7-5-18)28-10-8-25-9-11-28/h4-7,12-16,25,27H,8-11H2,1-3H3.
What are the key properties of N-[3-methoxy-5-[2-methyl-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]phenyl]methanesulfonamide?
N-[3-methoxy-5-[2-methyl-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]phenyl]methanesulfonamide has a molecular weight of 452.58 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-5-[2-methyl-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]phenyl]methanesulfonamide is sourced from PubChem (CID 135348481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).