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

C30H36N2O4S — CID 68815631

IUPAC2-[4-[[benzenesulfonyl-[(2-methoxyphenyl)methyl]amino]methyl]cyclohexyl]-2-(4-methylphenyl)acetamide
SMILESCOc1ccccc1CN(CC1CCC(C(C(N)=O)c2ccc(C)cc2)CC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C30H36N2O4S/c1-22-12-16-24(17-13-22)29(30(31)33)25-18-14-23(15-19-25)20-32(21-26-8-6-7-11-28(26)36-2)37(34,35)27-9-4-3-5-10-27/h3-13,16-17,23,25,29H,14-15,18-21H2,1-2H3,(H2,31,33)
InChIKeyYGVFYNQBUPYSDX-UHFFFAOYSA-N
MW520.70 g/mol
LogP5.27
Rot. Bonds10

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

2-[4-[[benzenesulfonyl-[(2-methoxyphenyl)methyl]amino]methyl]cyclohexyl]-2-(4-methylphenyl)acetamide (PubChem CID 68815631) has the molecular formula C30H36N2O4S and a molecular weight of 520.70 g/mol. Its IUPAC name is 2-[4-[[benzenesulfonyl-[(2-methoxyphenyl)methyl]amino]methyl]cyclohexyl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[[benzenesulfonyl-[(2-methoxyphenyl)methyl]amino]methyl]cyclohexyl]-2-(4-methylphenyl)acetamide
PubChem CID68815631
Molecular FormulaC30H36N2O4S
Molecular Weight520.70 g/mol
Exact Mass520.24
IUPAC Name2-[4-[[benzenesulfonyl-[(2-methoxyphenyl)methyl]amino]methyl]cyclohexyl]-2-(4-methylphenyl)acetamide
SMILESCOc1ccccc1CN(CC1CCC(C(C(N)=O)c2ccc(C)cc2)CC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C30H36N2O4S/c1-22-12-16-24(17-13-22)29(30(31)33)25-18-14-23(15-19-25)20-32(21-26-8-6-7-11-28(26)36-2)37(34,35)27-9-4-3-5-10-27/h3-13,16-17,23,25,29H,14-15,18-21H2,1-2H3,(H2,31,33)
InChIKeyYGVFYNQBUPYSDX-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-[(4-methoxyphenyl)methyl]amino]methyl]cyclohexyl]-2-(4-methylphenyl)acetamide
CID 68814694
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
N-[(2-methoxyphenyl)methyl]-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 26943731
4-[[benzenesulfonyl-[(3-methoxyphenyl)methyl]amino]methyl]-N-[(4-methylphenyl)methyl]cyclohexane-1-carboxamide
CID 152770649
N-[(2-methoxyphenyl)methyl]-3,4-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 51725760
N-[(3,4-dimethoxyphenyl)methyl]-N-(2-hydroxy-2-phenylethyl)-4-methylbenzenesulfonamide
CID 102598830
N-[(3,4-dimethoxyphenyl)methyl]-N-[(2R)-2-hydroxy-2-phenylethyl]-4-methylbenzenesulfonamide
CID 139041059
2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 43872110
2-[2-[[(4-methylphenyl)sulfonyl-[3-[(4-methylphenyl)sulfonyl-[[2-[2-(4-methylphenyl)sulfonyloxyethoxy]phenyl]methyl]amino]propyl]amino]methyl]phenoxy]ethyl 4-methylbenzenesulfonate
CID 102068242

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[benzenesulfonyl-[(2-methoxyphenyl)methyl]amino]methyl]cyclohexyl]-2-(4-methylphenyl)acetamide?
The IUPAC name of 2-[4-[[benzenesulfonyl-[(2-methoxyphenyl)methyl]amino]methyl]cyclohexyl]-2-(4-methylphenyl)acetamide (CID 68815631) is 2-[4-[[benzenesulfonyl-[(2-methoxyphenyl)methyl]amino]methyl]cyclohexyl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-[[benzenesulfonyl-[(2-methoxyphenyl)methyl]amino]methyl]cyclohexyl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[4-[[benzenesulfonyl-[(2-methoxyphenyl)methyl]amino]methyl]cyclohexyl]-2-(4-methylphenyl)acetamide is COc1ccccc1CN(CC1CCC(C(C(N)=O)c2ccc(C)cc2)CC1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[4-[[benzenesulfonyl-[(2-methoxyphenyl)methyl]amino]methyl]cyclohexyl]-2-(4-methylphenyl)acetamide?
The InChIKey is YGVFYNQBUPYSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N2O4S/c1-22-12-16-24(17-13-22)29(30(31)33)25-18-14-23(15-19-25)20-32(21-26-8-6-7-11-28(26)36-2)37(34,35)27-9-4-3-5-10-27/h3-13,16-17,23,25,29H,14-15,18-21H2,1-2H3,(H2,31,33).
What are the key properties of 2-[4-[[benzenesulfonyl-[(2-methoxyphenyl)methyl]amino]methyl]cyclohexyl]-2-(4-methylphenyl)acetamide?
2-[4-[[benzenesulfonyl-[(2-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-[(2-methoxyphenyl)methyl]amino]methyl]cyclohexyl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 68815631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).