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

C26H32N4O3S — CID 135348456

IUPACN-[2-methoxy-4-[2-methyl-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2C)cc1OC
InChIInChI=1S/C26H32N4O3S/c1-4-15-34(31,32)29-25-10-7-21(17-26(25)33-3)24-16-22(18-28-19(24)2)20-5-8-23(9-6-20)30-13-11-27-12-14-30/h5-10,16-18,27,29H,4,11-15H2,1-3H3
InChIKeyJBBMPWWTVMJBDW-UHFFFAOYSA-N
MW480.63 g/mol
LogP4.29
Rot. Bonds8

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

N-[2-methoxy-4-[2-methyl-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]phenyl]propane-1-sulfonamide (PubChem CID 135348456) has the molecular formula C26H32N4O3S and a molecular weight of 480.63 g/mol. Its IUPAC name is N-[2-methoxy-4-[2-methyl-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-methoxy-4-[2-methyl-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]phenyl]propane-1-sulfonamide
PubChem CID135348456
Molecular FormulaC26H32N4O3S
Molecular Weight480.63 g/mol
Exact Mass480.22
IUPAC NameN-[2-methoxy-4-[2-methyl-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2C)cc1OC
InChIInChI=1S/C26H32N4O3S/c1-4-15-34(31,32)29-25-10-7-21(17-26(25)33-3)24-16-22(18-28-19(24)2)20-5-8-23(9-6-20)30-13-11-27-12-14-30/h5-10,16-18,27,29H,4,11-15H2,1-3H3
InChIKeyJBBMPWWTVMJBDW-UHFFFAOYSA-N
XLogP4.29
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.63
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-4-[2-methyl-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]phenyl]propane-1-sulfonamide?
The IUPAC name of N-[2-methoxy-4-[2-methyl-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]phenyl]propane-1-sulfonamide (CID 135348456) is N-[2-methoxy-4-[2-methyl-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-methoxy-4-[2-methyl-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-methoxy-4-[2-methyl-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2C)cc1OC.
What is the InChIKey of N-[2-methoxy-4-[2-methyl-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]phenyl]propane-1-sulfonamide?
The InChIKey is JBBMPWWTVMJBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3S/c1-4-15-34(31,32)29-25-10-7-21(17-26(25)33-3)24-16-22(18-28-19(24)2)20-5-8-23(9-6-20)30-13-11-27-12-14-30/h5-10,16-18,27,29H,4,11-15H2,1-3H3.
What are the key properties of N-[2-methoxy-4-[2-methyl-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]phenyl]propane-1-sulfonamide?
N-[2-methoxy-4-[2-methyl-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]phenyl]propane-1-sulfonamide has a molecular weight of 480.63 g/mol, XLogP of 4.29, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-4-[2-methyl-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]phenyl]propane-1-sulfonamide is sourced from PubChem (CID 135348456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).