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

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

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Related Compounds

1-methoxy-3-[4-[(4-phenylphenyl)methylamino]-1-[(sulfamoylamino)methyl]cyclohexyl]benzene
CID 23160987
1-(3-methoxyphenyl)-4-[(4-phenylphenyl)methylamino]cyclohexane-1-carbonitrile
CID 23133727
N-[4-[[[4-(methanesulfonamidomethyl)-4-(3-methoxyphenyl)cyclohexyl]amino]methyl]phenyl]acetamide
CID 23161016
3-[[[4-cyano-4-(3-methoxyphenyl)cyclohexyl]amino]methyl]benzenesulfonamide
CID 23133731
N-[[3-[4-[[2-(3-methoxyphenyl)ethylamino]methyl]phenyl]phenyl]methyl]cyclopentanamine
CID 44534753
1-(3-methoxyphenyl)-4-(2-phenylethylamino)cyclohexane-1-carbonitrile
CID 23133712
4-[(3-methoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 60809214
1-methoxy-3-[4-[1-(4-phenylphenyl)ethylamino]-1-[(sulfamoylamino)methyl]cyclohexyl]benzene;hydrochloride
CID 23161115
1-methyl-N-[(4-phenylphenyl)methyl]piperidin-4-amine
CID 43215927
N-[[1-(3-methoxyphenyl)cyclohexyl]methyl]cyclopropanamine
CID 62594616
1-ethylsulfonyl-N-[(3-methoxyphenyl)methyl]-4-phenylpiperidine-4-carboxamide
CID 78816293
N-[(3-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62707677

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).