1-(2,5-dimethoxyphenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide

C22H28N2O6S — CID 2963984

IUPAC1-(2,5-dimethoxyphenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)cc1
InChIInChI=1S/C22H28N2O6S/c1-28-18-6-4-16(5-7-18)15-23-22(25)17-10-12-24(13-11-17)31(26,27)21-14-19(29-2)8-9-20(21)30-3/h4-9,14,17H,10-13,15H2,1-3H3,(H,23,25)
InChIKeyMZCMMISMANXPAY-UHFFFAOYSA-N
MW448.54 g/mol
LogP2.43
Rot. Bonds8

About 1-(2,5-dimethoxyphenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide

1-(2,5-dimethoxyphenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 2963984) has the molecular formula C22H28N2O6S and a molecular weight of 448.54 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
PubChem CID2963984
Molecular FormulaC22H28N2O6S
Molecular Weight448.54 g/mol
Exact Mass448.17
IUPAC Name1-(2,5-dimethoxyphenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)cc1
InChIInChI=1S/C22H28N2O6S/c1-28-18-6-4-16(5-7-18)15-23-22(25)17-10-12-24(13-11-17)31(26,27)21-14-19(29-2)8-9-20(21)30-3/h4-9,14,17H,10-13,15H2,1-3H3,(H,23,25)
InChIKeyMZCMMISMANXPAY-UHFFFAOYSA-N
XLogP2.43
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(2,5-dimethoxyphenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide 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

(2S)-2-((1-(benzenesulfonyl)piperidin-4-yl)formamido)-N-((2-methoxyphenyl)methyl)propanamide
CID 17585104
2-(4-methoxyphenyl)-N-(4-sulfamoylbenzyl)acetamide
CID 4578038
N-(4-methoxybenzyl)-N~2~-methyl-N~2~-(phenylsulfonyl)glycinamide
CID 890682
1-((4-fluorophenyl)sulfonyl)-N-(3-((3-methoxybenzyl)amino)-3-oxopropyl)piperidine-4-carboxamide
CID 17585900
N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 1077703
N-benzyl-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1088308
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
1-(2,5-Dimethoxy-benzenesulfonyl)-piperidine-4-carboxylic acid cyclopentylamide
CID 1091445
2-({1-[(2,5-Dimethoxyphenyl)sulfonyl]-4-piperidinyl}carbonyl)-1,2,3,4-tetrahydroisoquinoline
CID 1093361
1-[(2,5-dimethoxyphenyl)sulfonyl]-N-(2-methoxybenzyl)-4-piperidinecarboxamide
CID 1093362
1-(2,5-Dimethoxyphenyl)sulfonyl-4-(phenylmethyl)piperazine
CID 1106577

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide (CID 2963984) is 1-(2,5-dimethoxyphenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide is COc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)cc1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is MZCMMISMANXPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O6S/c1-28-18-6-4-16(5-7-18)15-23-22(25)17-10-12-24(13-11-17)31(26,27)21-14-19(29-2)8-9-20(21)30-3/h4-9,14,17H,10-13,15H2,1-3H3,(H,23,25).
What are the key properties of 1-(2,5-dimethoxyphenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
1-(2,5-dimethoxyphenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 448.54 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 2963984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).