dimethyl 5-[[1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate

C23H26N2O8S — CID 26695275

IUPACdimethyl 5-[[1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc(C(=O)OC)c1
InChIInChI=1S/C23H26N2O8S/c1-31-19-4-6-20(7-5-19)34(29,30)25-10-8-15(9-11-25)21(26)24-18-13-16(22(27)32-2)12-17(14-18)23(28)33-3/h4-7,12-15H,8-11H2,1-3H3,(H,24,26)
InChIKeyDYCFXNTZVZCKLV-UHFFFAOYSA-N
MW490.53 g/mol
LogP2.31
Rot. Bonds7

About dimethyl 5-[[1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate

dimethyl 5-[[1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate (PubChem CID 26695275) has the molecular formula C23H26N2O8S and a molecular weight of 490.53 g/mol. Its IUPAC name is dimethyl 5-[[1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-[[1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate
PubChem CID26695275
Molecular FormulaC23H26N2O8S
Molecular Weight490.53 g/mol
Exact Mass490.14
IUPAC Namedimethyl 5-[[1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc(C(=O)OC)c1
InChIInChI=1S/C23H26N2O8S/c1-31-19-4-6-20(7-5-19)34(29,30)25-10-8-15(9-11-25)21(26)24-18-13-16(22(27)32-2)12-17(14-18)23(28)33-3/h4-7,12-15H,8-11H2,1-3H3,(H,24,26)
InChIKeyDYCFXNTZVZCKLV-UHFFFAOYSA-N
XLogP2.31
TPSA128.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.53
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-(4-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 1327450
N-(3-chloro-4-methylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 2672974
N-(3-chloro-4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1075521
N-(2-chlorophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1075573
methyl 2-[[1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate
CID 1075443
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1075592
N-(9,10-dioxoanthracen-2-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 16831891
N-[4-(diethylsulfamoyl)phenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 100655190
methyl 4-[[(3S)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]benzoate
CID 41301922
methyl 4-[[1-(4-tert-butylphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate
CID 26583106
1-(4-methoxyphenyl)sulfonyl-N-(4-prop-2-enoxyphenyl)piperidine-4-carboxamide
CID 100655918
dimethyl 5-[[(3R)-1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]benzene-1,3-dicarboxylate
CID 26245227

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-[[1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate?
The IUPAC name of dimethyl 5-[[1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate (CID 26695275) is dimethyl 5-[[1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-[[1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 5-[[1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate is COC(=O)c1cc(NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc(C(=O)OC)c1.
What is the InChIKey of dimethyl 5-[[1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate?
The InChIKey is DYCFXNTZVZCKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O8S/c1-31-19-4-6-20(7-5-19)34(29,30)25-10-8-15(9-11-25)21(26)24-18-13-16(22(27)32-2)12-17(14-18)23(28)33-3/h4-7,12-15H,8-11H2,1-3H3,(H,24,26).
What are the key properties of dimethyl 5-[[1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate?
dimethyl 5-[[1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate has a molecular weight of 490.53 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-[[1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate is sourced from PubChem (CID 26695275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).