N-[4-[2-[[2-(2-methoxyphenyl)cyclopropyl]methylamino]ethyl]cyclohexyl]benzenesulfonamide

C25H34N2O3S — CID 164618773

IUPACN-[4-[2-[[2-(2-methoxyphenyl)cyclopropyl]methylamino]ethyl]cyclohexyl]benzenesulfonamide
SMILESCOc1ccccc1C1CC1CNCCC1CCC(NS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C25H34N2O3S/c1-30-25-10-6-5-9-23(25)24-17-20(24)18-26-16-15-19-11-13-21(14-12-19)27-31(28,29)22-7-3-2-4-8-22/h2-10,19-21,24,26-27H,11-18H2,1H3
InChIKeyRBTSCAZNUBZVQW-UHFFFAOYSA-N
MW442.63 g/mol
LogP4.32
Rot. Bonds10

About N-[4-[2-[[2-(2-methoxyphenyl)cyclopropyl]methylamino]ethyl]cyclohexyl]benzenesulfonamide

N-[4-[2-[[2-(2-methoxyphenyl)cyclopropyl]methylamino]ethyl]cyclohexyl]benzenesulfonamide (PubChem CID 164618773) has the molecular formula C25H34N2O3S and a molecular weight of 442.63 g/mol. Its IUPAC name is N-[4-[2-[[2-(2-methoxyphenyl)cyclopropyl]methylamino]ethyl]cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-[2-[[2-(2-methoxyphenyl)cyclopropyl]methylamino]ethyl]cyclohexyl]benzenesulfonamide
PubChem CID164618773
Molecular FormulaC25H34N2O3S
Molecular Weight442.63 g/mol
Exact Mass442.23
IUPAC NameN-[4-[2-[[2-(2-methoxyphenyl)cyclopropyl]methylamino]ethyl]cyclohexyl]benzenesulfonamide
SMILESCOc1ccccc1C1CC1CNCCC1CCC(NS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C25H34N2O3S/c1-30-25-10-6-5-9-23(25)24-17-20(24)18-26-16-15-19-11-13-21(14-12-19)27-31(28,29)22-7-3-2-4-8-22/h2-10,19-21,24,26-27H,11-18H2,1H3
InChIKeyRBTSCAZNUBZVQW-UHFFFAOYSA-N
XLogP4.32
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.63
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[2-(2-methoxyphenyl)cyclopropyl]methylamino]ethyl]cyclohexyl]benzenesulfonamide?
The IUPAC name of N-[4-[2-[[2-(2-methoxyphenyl)cyclopropyl]methylamino]ethyl]cyclohexyl]benzenesulfonamide (CID 164618773) is N-[4-[2-[[2-(2-methoxyphenyl)cyclopropyl]methylamino]ethyl]cyclohexyl]benzenesulfonamide.
What is the SMILES notation for N-[4-[2-[[2-(2-methoxyphenyl)cyclopropyl]methylamino]ethyl]cyclohexyl]benzenesulfonamide?
The canonical SMILES for N-[4-[2-[[2-(2-methoxyphenyl)cyclopropyl]methylamino]ethyl]cyclohexyl]benzenesulfonamide is COc1ccccc1C1CC1CNCCC1CCC(NS(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of N-[4-[2-[[2-(2-methoxyphenyl)cyclopropyl]methylamino]ethyl]cyclohexyl]benzenesulfonamide?
The InChIKey is RBTSCAZNUBZVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O3S/c1-30-25-10-6-5-9-23(25)24-17-20(24)18-26-16-15-19-11-13-21(14-12-19)27-31(28,29)22-7-3-2-4-8-22/h2-10,19-21,24,26-27H,11-18H2,1H3.
What are the key properties of N-[4-[2-[[2-(2-methoxyphenyl)cyclopropyl]methylamino]ethyl]cyclohexyl]benzenesulfonamide?
N-[4-[2-[[2-(2-methoxyphenyl)cyclopropyl]methylamino]ethyl]cyclohexyl]benzenesulfonamide has a molecular weight of 442.63 g/mol, XLogP of 4.32, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[[2-(2-methoxyphenyl)cyclopropyl]methylamino]ethyl]cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 164618773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).