methyl 4-[[(4-methoxyphenyl)sulfonyl-[1-(2-methylpropanoyl)piperidin-3-yl]amino]methyl]benzoate

C25H32N2O6S — CID 58718475

IUPACmethyl 4-[[(4-methoxyphenyl)sulfonyl-[1-(2-methylpropanoyl)piperidin-3-yl]amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CN(C2CCCN(C(=O)C(C)C)C2)S(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H32N2O6S/c1-18(2)24(28)26-15-5-6-21(17-26)27(16-19-7-9-20(10-8-19)25(29)33-4)34(30,31)23-13-11-22(32-3)12-14-23/h7-14,18,21H,5-6,15-17H2,1-4H3
InChIKeyASVSUWIHEOEHOG-UHFFFAOYSA-N
MW488.61 g/mol
LogP3.32
Rot. Bonds8

About methyl 4-[[(4-methoxyphenyl)sulfonyl-[1-(2-methylpropanoyl)piperidin-3-yl]amino]methyl]benzoate

methyl 4-[[(4-methoxyphenyl)sulfonyl-[1-(2-methylpropanoyl)piperidin-3-yl]amino]methyl]benzoate (PubChem CID 58718475) has the molecular formula C25H32N2O6S and a molecular weight of 488.61 g/mol. Its IUPAC name is methyl 4-[[(4-methoxyphenyl)sulfonyl-[1-(2-methylpropanoyl)piperidin-3-yl]amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[(4-methoxyphenyl)sulfonyl-[1-(2-methylpropanoyl)piperidin-3-yl]amino]methyl]benzoate
PubChem CID58718475
Molecular FormulaC25H32N2O6S
Molecular Weight488.61 g/mol
Exact Mass488.20
IUPAC Namemethyl 4-[[(4-methoxyphenyl)sulfonyl-[1-(2-methylpropanoyl)piperidin-3-yl]amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CN(C2CCCN(C(=O)C(C)C)C2)S(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H32N2O6S/c1-18(2)24(28)26-15-5-6-21(17-26)27(16-19-7-9-20(10-8-19)25(29)33-4)34(30,31)23-13-11-22(32-3)12-14-23/h7-14,18,21H,5-6,15-17H2,1-4H3
InChIKeyASVSUWIHEOEHOG-UHFFFAOYSA-N
XLogP3.32
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.61
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 4-[[(4-methoxyphenyl)sulfonyl-[1-(2-methylpropanoyl)piperidin-3-yl]amino]methyl]benzoate with MolForge

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Related Compounds

tert-butyl 3-[(4-methoxyphenyl)sulfonyl-[[4-(2,2,2-trifluoroacetyl)phenyl]methyl]amino]piperidine-1-carboxylate
CID 58589400
tert-butyl 3-[benzenesulfonyl-[(4-methoxycarbonylphenyl)methyl]amino]piperidine-1-carboxylate
CID 10184810
methyl 4-[[[1-(2-methoxyacetyl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]benzoate
CID 10301939
methyl 4-[[[1-(2-methylsulfanylacetyl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]benzoate
CID 10143749
tert-butyl 3-[(4-methoxyphenyl)sulfonyl-[[4-(morpholine-4-carbonyl)phenyl]methyl]amino]piperidine-1-carboxylate
CID 58589385
methyl 4-[[(1-methylsulfonylpiperidin-3-yl)-[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]benzoate
CID 58718491
methyl 4-[[(4-chlorophenyl)sulfonyl-(1-propylsulfonylpiperidin-3-yl)amino]methyl]benzoate
CID 58718454
N-[(4-acetylphenyl)methyl]-N-[1-(2-methoxyacetyl)piperidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 142212436
methyl 4-[[(4-chlorophenyl)sulfonyl-[3-(fluoromethyl)cyclohexyl]amino]methyl]benzoate
CID 90364669
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 9189457
methyl 4-[3-[(4-fluorophenyl)methyl-(4-methoxyphenyl)sulfonylamino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 23801820
methyl 4-[cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]sulfamoyl]benzoate
CID 26540361

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(4-methoxyphenyl)sulfonyl-[1-(2-methylpropanoyl)piperidin-3-yl]amino]methyl]benzoate?
The IUPAC name of methyl 4-[[(4-methoxyphenyl)sulfonyl-[1-(2-methylpropanoyl)piperidin-3-yl]amino]methyl]benzoate (CID 58718475) is methyl 4-[[(4-methoxyphenyl)sulfonyl-[1-(2-methylpropanoyl)piperidin-3-yl]amino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[(4-methoxyphenyl)sulfonyl-[1-(2-methylpropanoyl)piperidin-3-yl]amino]methyl]benzoate?
The canonical SMILES for methyl 4-[[(4-methoxyphenyl)sulfonyl-[1-(2-methylpropanoyl)piperidin-3-yl]amino]methyl]benzoate is COC(=O)c1ccc(CN(C2CCCN(C(=O)C(C)C)C2)S(=O)(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of methyl 4-[[(4-methoxyphenyl)sulfonyl-[1-(2-methylpropanoyl)piperidin-3-yl]amino]methyl]benzoate?
The InChIKey is ASVSUWIHEOEHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O6S/c1-18(2)24(28)26-15-5-6-21(17-26)27(16-19-7-9-20(10-8-19)25(29)33-4)34(30,31)23-13-11-22(32-3)12-14-23/h7-14,18,21H,5-6,15-17H2,1-4H3.
What are the key properties of methyl 4-[[(4-methoxyphenyl)sulfonyl-[1-(2-methylpropanoyl)piperidin-3-yl]amino]methyl]benzoate?
methyl 4-[[(4-methoxyphenyl)sulfonyl-[1-(2-methylpropanoyl)piperidin-3-yl]amino]methyl]benzoate has a molecular weight of 488.61 g/mol, XLogP of 3.32, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(4-methoxyphenyl)sulfonyl-[1-(2-methylpropanoyl)piperidin-3-yl]amino]methyl]benzoate is sourced from PubChem (CID 58718475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).