methyl 2-[[1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate

C22H26N2O7S — CID 2955952

IUPACmethyl 2-[[1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1
InChIInChI=1S/C22H26N2O7S/c1-29-16-8-9-19(30-2)20(14-16)32(27,28)24-12-10-15(11-13-24)21(25)23-18-7-5-4-6-17(18)22(26)31-3/h4-9,14-15H,10-13H2,1-3H3,(H,23,25)
InChIKeyMZALEXMXCKYJQA-UHFFFAOYSA-N
MW462.52 g/mol
LogP2.53
Rot. Bonds7

About methyl 2-[[1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate

methyl 2-[[1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate (PubChem CID 2955952) has the molecular formula C22H26N2O7S and a molecular weight of 462.52 g/mol. Its IUPAC name is methyl 2-[[1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate
PubChem CID2955952
Molecular FormulaC22H26N2O7S
Molecular Weight462.52 g/mol
Exact Mass462.15
IUPAC Namemethyl 2-[[1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1
InChIInChI=1S/C22H26N2O7S/c1-29-16-8-9-19(30-2)20(14-16)32(27,28)24-12-10-15(11-13-24)21(25)23-18-7-5-4-6-17(18)22(26)31-3/h4-9,14-15H,10-13H2,1-3H3,(H,23,25)
InChIKeyMZALEXMXCKYJQA-UHFFFAOYSA-N
XLogP2.53
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.52
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[[1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-({3-[(Diethylamino)sulfonyl]-4-methoxybenzoyl}amino)benzoic acid
CID 1521222
Ethyl 2-[[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]amino]benzoate
CID 2513657
2-[3-(Diethylsulfamoyl)benzamido]-N-(4-methoxyphenyl)benzamide
CID 4651552
ethyl 2-({N-(2-methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]glycyl}amino)benzoate
CID 1324419
2-[3-(4-Methoxy-phenylsulfamoyl)-benzoylamino]-benzoic acid
CID 1076709
Diethylsulfonamide Derivative, 13h
CID 11213649
Diethylsulfonamide Derivative, 13g
CID 11751717
1-(2,5-Dimethoxy-benzenesulfonyl)-piperidine-4-carboxylic acid (3,4-dimethyl-phenyl)-amide
CID 649165
2-{[(2,5-Dimethoxyphenyl)sulfonyl]amino}benzoic acid
CID 898080
1-(2,5-Dimethoxy-benzenesulfonyl)-piperidine-4-carboxylic acid (2,5-dimethyl-phenyl)-amide
CID 1091421
1-(2,5-dimethoxyphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
CID 1091444
2-{2-[Methanesulfonyl-(4-methoxy-phenyl)-amino]-acetylamino}-benzoic acid methyl ester
CID 1100019

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate?
The IUPAC name of methyl 2-[[1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate (CID 2955952) is methyl 2-[[1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate?
The canonical SMILES for methyl 2-[[1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1.
What is the InChIKey of methyl 2-[[1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate?
The InChIKey is MZALEXMXCKYJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O7S/c1-29-16-8-9-19(30-2)20(14-16)32(27,28)24-12-10-15(11-13-24)21(25)23-18-7-5-4-6-17(18)22(26)31-3/h4-9,14-15H,10-13H2,1-3H3,(H,23,25).
What are the key properties of methyl 2-[[1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate?
methyl 2-[[1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate has a molecular weight of 462.52 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate is sourced from PubChem (CID 2955952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).