N-[1-(3-methoxyphenyl)-4-[(4-phenylphenyl)methylamino]cyclohexyl]methanesulfonamide

C27H32N2O3S — CID 23161188

IUPACN-[1-(3-methoxyphenyl)-4-[(4-phenylphenyl)methylamino]cyclohexyl]methanesulfonamide
SMILESCOc1cccc(C2(NS(C)(=O)=O)CCC(NCc3ccc(-c4ccccc4)cc3)CC2)c1
InChIInChI=1S/C27H32N2O3S/c1-32-26-10-6-9-24(19-26)27(29-33(2,30)31)17-15-25(16-18-27)28-20-21-11-13-23(14-12-21)22-7-4-3-5-8-22/h3-14,19,25,28-29H,15-18,20H2,1-2H3
InChIKeyQFGLHTQGKJSFAS-UHFFFAOYSA-N
MW464.63 g/mol
LogP4.84
Rot. Bonds8

About N-[1-(3-methoxyphenyl)-4-[(4-phenylphenyl)methylamino]cyclohexyl]methanesulfonamide

N-[1-(3-methoxyphenyl)-4-[(4-phenylphenyl)methylamino]cyclohexyl]methanesulfonamide (PubChem CID 23161188) has the molecular formula C27H32N2O3S and a molecular weight of 464.63 g/mol. Its IUPAC name is N-[1-(3-methoxyphenyl)-4-[(4-phenylphenyl)methylamino]cyclohexyl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(3-methoxyphenyl)-4-[(4-phenylphenyl)methylamino]cyclohexyl]methanesulfonamide
PubChem CID23161188
Molecular FormulaC27H32N2O3S
Molecular Weight464.63 g/mol
Exact Mass464.21
IUPAC NameN-[1-(3-methoxyphenyl)-4-[(4-phenylphenyl)methylamino]cyclohexyl]methanesulfonamide
SMILESCOc1cccc(C2(NS(C)(=O)=O)CCC(NCc3ccc(-c4ccccc4)cc3)CC2)c1
InChIInChI=1S/C27H32N2O3S/c1-32-26-10-6-9-24(19-26)27(29-33(2,30)31)17-15-25(16-18-27)28-20-21-11-13-23(14-12-21)22-7-4-3-5-8-22/h3-14,19,25,28-29H,15-18,20H2,1-2H3
InChIKeyQFGLHTQGKJSFAS-UHFFFAOYSA-N
XLogP4.84
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.63
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxyphenyl)-4-[(4-phenylphenyl)methylamino]cyclohexyl]methanesulfonamide?
The IUPAC name of N-[1-(3-methoxyphenyl)-4-[(4-phenylphenyl)methylamino]cyclohexyl]methanesulfonamide (CID 23161188) is N-[1-(3-methoxyphenyl)-4-[(4-phenylphenyl)methylamino]cyclohexyl]methanesulfonamide.
What is the SMILES notation for N-[1-(3-methoxyphenyl)-4-[(4-phenylphenyl)methylamino]cyclohexyl]methanesulfonamide?
The canonical SMILES for N-[1-(3-methoxyphenyl)-4-[(4-phenylphenyl)methylamino]cyclohexyl]methanesulfonamide is COc1cccc(C2(NS(C)(=O)=O)CCC(NCc3ccc(-c4ccccc4)cc3)CC2)c1.
What is the InChIKey of N-[1-(3-methoxyphenyl)-4-[(4-phenylphenyl)methylamino]cyclohexyl]methanesulfonamide?
The InChIKey is QFGLHTQGKJSFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O3S/c1-32-26-10-6-9-24(19-26)27(29-33(2,30)31)17-15-25(16-18-27)28-20-21-11-13-23(14-12-21)22-7-4-3-5-8-22/h3-14,19,25,28-29H,15-18,20H2,1-2H3.
What are the key properties of N-[1-(3-methoxyphenyl)-4-[(4-phenylphenyl)methylamino]cyclohexyl]methanesulfonamide?
N-[1-(3-methoxyphenyl)-4-[(4-phenylphenyl)methylamino]cyclohexyl]methanesulfonamide has a molecular weight of 464.63 g/mol, XLogP of 4.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxyphenyl)-4-[(4-phenylphenyl)methylamino]cyclohexyl]methanesulfonamide is sourced from PubChem (CID 23161188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).