2-[4-[[benzenesulfonyl-[(4-methoxyphenyl)methyl]amino]methyl]cyclohexyl]-2-(4-methylphenyl)acetamide

C30H36N2O4S — CID 68814694

IUPAC2-[4-[[benzenesulfonyl-[(4-methoxyphenyl)methyl]amino]methyl]cyclohexyl]-2-(4-methylphenyl)acetamide
SMILESCOc1ccc(CN(CC2CCC(C(C(N)=O)c3ccc(C)cc3)CC2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C30H36N2O4S/c1-22-8-14-25(15-9-22)29(30(31)33)26-16-10-23(11-17-26)20-32(21-24-12-18-27(36-2)19-13-24)37(34,35)28-6-4-3-5-7-28/h3-9,12-15,18-19,23,26,29H,10-11,16-17,20-21H2,1-2H3,(H2,31,33)
InChIKeySWVFOFPTIRROGP-UHFFFAOYSA-N
MW520.70 g/mol
LogP5.27
Rot. Bonds10

About 2-[4-[[benzenesulfonyl-[(4-methoxyphenyl)methyl]amino]methyl]cyclohexyl]-2-(4-methylphenyl)acetamide

2-[4-[[benzenesulfonyl-[(4-methoxyphenyl)methyl]amino]methyl]cyclohexyl]-2-(4-methylphenyl)acetamide (PubChem CID 68814694) has the molecular formula C30H36N2O4S and a molecular weight of 520.70 g/mol. Its IUPAC name is 2-[4-[[benzenesulfonyl-[(4-methoxyphenyl)methyl]amino]methyl]cyclohexyl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[[benzenesulfonyl-[(4-methoxyphenyl)methyl]amino]methyl]cyclohexyl]-2-(4-methylphenyl)acetamide
PubChem CID68814694
Molecular FormulaC30H36N2O4S
Molecular Weight520.70 g/mol
Exact Mass520.24
IUPAC Name2-[4-[[benzenesulfonyl-[(4-methoxyphenyl)methyl]amino]methyl]cyclohexyl]-2-(4-methylphenyl)acetamide
SMILESCOc1ccc(CN(CC2CCC(C(C(N)=O)c3ccc(C)cc3)CC2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C30H36N2O4S/c1-22-8-14-25(15-9-22)29(30(31)33)26-16-10-23(11-17-26)20-32(21-24-12-18-27(36-2)19-13-24)37(34,35)28-6-4-3-5-7-28/h3-9,12-15,18-19,23,26,29H,10-11,16-17,20-21H2,1-2H3,(H2,31,33)
InChIKeySWVFOFPTIRROGP-UHFFFAOYSA-N
XLogP5.27
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.70
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[benzenesulfonyl-[(2-methoxyphenyl)methyl]amino]methyl]cyclohexyl]-2-(4-methylphenyl)acetamide
CID 68815631
2-[4-[[benzyl-(3,5-dimethylphenyl)sulfonylamino]methyl]cyclohexyl]-2-(4-methylphenyl)acetamide
CID 68815431
2-[4-[[benzenesulfonyl(benzyl)amino]methyl]cyclohexyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 68814771
2-[4-[[benzyl-(3-chloro-2-fluorophenyl)sulfonylamino]methyl]cyclohexyl]-2-(4-methylphenyl)acetamide
CID 68816734
4-[[benzenesulfonyl(benzyl)amino]methyl]-N-[(1R)-1-(4-methylphenyl)ethyl]cyclohexane-1-carboxamide
CID 23582443
4-[[benzenesulfonyl-[(3-methoxyphenyl)methyl]amino]methyl]-N-[(4-methylphenyl)methyl]cyclohexane-1-carboxamide
CID 152770649
ethyl 4-[[(4-fluorophenyl)sulfonyl-[(4-methoxyphenyl)methyl]amino]methyl]cyclohexane-1-carboxylate
CID 126479519
N-benzyl-N-[(2R,3R)-3-hydroxy-3-(4-methoxyphenyl)-2-phenylpropyl]-4-methylbenzenesulfonamide
CID 102047940
N-[4-[[benzyl-(3,5-dimethylphenyl)sulfonylamino]methyl]cyclohexyl]-2-(4-methylphenyl)acetamide
CID 23582066
sodium 4-[[(4-tert-butylphenyl)sulfonyl-[(4-methoxyphenyl)methyl]amino]methyl]-N-oxidocyclohexane-1-carboxamide
CID 146061418
N,N-dibenzyl-4-methoxybenzenesulfonamide
CID 1005048
N-[4-[[benzenesulfonyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]acetamide
CID 141361158

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[benzenesulfonyl-[(4-methoxyphenyl)methyl]amino]methyl]cyclohexyl]-2-(4-methylphenyl)acetamide?
The IUPAC name of 2-[4-[[benzenesulfonyl-[(4-methoxyphenyl)methyl]amino]methyl]cyclohexyl]-2-(4-methylphenyl)acetamide (CID 68814694) is 2-[4-[[benzenesulfonyl-[(4-methoxyphenyl)methyl]amino]methyl]cyclohexyl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-[[benzenesulfonyl-[(4-methoxyphenyl)methyl]amino]methyl]cyclohexyl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[4-[[benzenesulfonyl-[(4-methoxyphenyl)methyl]amino]methyl]cyclohexyl]-2-(4-methylphenyl)acetamide is COc1ccc(CN(CC2CCC(C(C(N)=O)c3ccc(C)cc3)CC2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[4-[[benzenesulfonyl-[(4-methoxyphenyl)methyl]amino]methyl]cyclohexyl]-2-(4-methylphenyl)acetamide?
The InChIKey is SWVFOFPTIRROGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N2O4S/c1-22-8-14-25(15-9-22)29(30(31)33)26-16-10-23(11-17-26)20-32(21-24-12-18-27(36-2)19-13-24)37(34,35)28-6-4-3-5-7-28/h3-9,12-15,18-19,23,26,29H,10-11,16-17,20-21H2,1-2H3,(H2,31,33).
What are the key properties of 2-[4-[[benzenesulfonyl-[(4-methoxyphenyl)methyl]amino]methyl]cyclohexyl]-2-(4-methylphenyl)acetamide?
2-[4-[[benzenesulfonyl-[(4-methoxyphenyl)methyl]amino]methyl]cyclohexyl]-2-(4-methylphenyl)acetamide has a molecular weight of 520.70 g/mol, XLogP of 5.27, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[benzenesulfonyl-[(4-methoxyphenyl)methyl]amino]methyl]cyclohexyl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 68814694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).