N-[3-[2-methyl-6-(2-piperidin-1-ylethoxy)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]phenyl]methanesulfonamide

C30H36N2O3S — CID 70999165

IUPACN-[3-[2-methyl-6-(2-piperidin-1-ylethoxy)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]phenyl]methanesulfonamide
SMILESCC1(c2cccc(NS(C)(=O)=O)c2)c2ccccc2CCc2cc(OCCN3CCCCC3)ccc21
InChIInChI=1S/C30H36N2O3S/c1-30(25-10-8-11-26(22-25)31-36(2,33)34)28-12-5-4-9-23(28)13-14-24-21-27(15-16-29(24)30)35-20-19-32-17-6-3-7-18-32/h4-5,8-12,15-16,21-22,31H,3,6-7,13-14,17-20H2,1-2H3
InChIKeyYSHJYGPFEVJZLT-UHFFFAOYSA-N
MW504.70 g/mol
LogP5.38
Rot. Bonds7

About N-[3-[2-methyl-6-(2-piperidin-1-ylethoxy)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]phenyl]methanesulfonamide

N-[3-[2-methyl-6-(2-piperidin-1-ylethoxy)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]phenyl]methanesulfonamide (PubChem CID 70999165) has the molecular formula C30H36N2O3S and a molecular weight of 504.70 g/mol. Its IUPAC name is N-[3-[2-methyl-6-(2-piperidin-1-ylethoxy)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[2-methyl-6-(2-piperidin-1-ylethoxy)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]phenyl]methanesulfonamide
PubChem CID70999165
Molecular FormulaC30H36N2O3S
Molecular Weight504.70 g/mol
Exact Mass504.24
IUPAC NameN-[3-[2-methyl-6-(2-piperidin-1-ylethoxy)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]phenyl]methanesulfonamide
SMILESCC1(c2cccc(NS(C)(=O)=O)c2)c2ccccc2CCc2cc(OCCN3CCCCC3)ccc21
InChIInChI=1S/C30H36N2O3S/c1-30(25-10-8-11-26(22-25)31-36(2,33)34)28-12-5-4-9-23(28)13-14-24-21-27(15-16-29(24)30)35-20-19-32-17-6-3-7-18-32/h4-5,8-12,15-16,21-22,31H,3,6-7,13-14,17-20H2,1-2H3
InChIKeyYSHJYGPFEVJZLT-UHFFFAOYSA-N
XLogP5.38
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.70
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-[2-methyl-6-(2-piperidin-1-ylethoxy)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]phenyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-methyl-6-(2-piperidin-1-ylethoxy)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[2-methyl-6-(2-piperidin-1-ylethoxy)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]phenyl]methanesulfonamide (CID 70999165) is N-[3-[2-methyl-6-(2-piperidin-1-ylethoxy)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[2-methyl-6-(2-piperidin-1-ylethoxy)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[2-methyl-6-(2-piperidin-1-ylethoxy)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]phenyl]methanesulfonamide is CC1(c2cccc(NS(C)(=O)=O)c2)c2ccccc2CCc2cc(OCCN3CCCCC3)ccc21.
What is the InChIKey of N-[3-[2-methyl-6-(2-piperidin-1-ylethoxy)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]phenyl]methanesulfonamide?
The InChIKey is YSHJYGPFEVJZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N2O3S/c1-30(25-10-8-11-26(22-25)31-36(2,33)34)28-12-5-4-9-23(28)13-14-24-21-27(15-16-29(24)30)35-20-19-32-17-6-3-7-18-32/h4-5,8-12,15-16,21-22,31H,3,6-7,13-14,17-20H2,1-2H3.
What are the key properties of N-[3-[2-methyl-6-(2-piperidin-1-ylethoxy)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]phenyl]methanesulfonamide?
N-[3-[2-methyl-6-(2-piperidin-1-ylethoxy)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]phenyl]methanesulfonamide has a molecular weight of 504.70 g/mol, XLogP of 5.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-methyl-6-(2-piperidin-1-ylethoxy)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]phenyl]methanesulfonamide is sourced from PubChem (CID 70999165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).