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

C22H28N2O6S — CID 1093362

IUPAC1-(2,5-dimethoxyphenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)NCc3ccccc3OC)CC2)c1
InChIInChI=1S/C22H28N2O6S/c1-28-18-8-9-20(30-3)21(14-18)31(26,27)24-12-10-16(11-13-24)22(25)23-15-17-6-4-5-7-19(17)29-2/h4-9,14,16H,10-13,15H2,1-3H3,(H,23,25)
InChIKeyVDZGSEXSUVHDRY-UHFFFAOYSA-N
MW448.54 g/mol
LogP2.43
Rot. Bonds8

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

1-(2,5-dimethoxyphenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 1093362) has the molecular formula C22H28N2O6S and a molecular weight of 448.54 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
PubChem CID1093362
Molecular FormulaC22H28N2O6S
Molecular Weight448.54 g/mol
Exact Mass448.17
IUPAC Name1-(2,5-dimethoxyphenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)NCc3ccccc3OC)CC2)c1
InChIInChI=1S/C22H28N2O6S/c1-28-18-8-9-20(30-3)21(14-18)31(26,27)24-12-10-16(11-13-24)22(25)23-15-17-6-4-5-7-19(17)29-2/h4-9,14,16H,10-13,15H2,1-3H3,(H,23,25)
InChIKeyVDZGSEXSUVHDRY-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

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Related Compounds

(2S)-2-((1-(benzenesulfonyl)piperidin-4-yl)formamido)-N-((2-methoxyphenyl)methyl)propanamide
CID 17585104
N-(2,5-dimethoxybenzyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 3623876
1-((4-fluorophenyl)sulfonyl)-N-(3-((3-methoxybenzyl)amino)-3-oxopropyl)piperidine-4-carboxamide
CID 17585900
(S)-N-(2-methoxybenzyl)-1-(1-tosylpiperidine-4-carbonyl)pyrrolidine-2-carboxamide
CID 662554
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-4-(phenylmethyl)piperazine
CID 1106577
1-[(2-methoxy-5-methylphenyl)sulfonyl]-N-(2-phenylethyl)-4-piperidinecarboxamide
CID 1263562

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide (CID 1093362) is 1-(2,5-dimethoxyphenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide is COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)NCc3ccccc3OC)CC2)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is VDZGSEXSUVHDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O6S/c1-28-18-8-9-20(30-3)21(14-18)31(26,27)24-12-10-16(11-13-24)22(25)23-15-17-6-4-5-7-19(17)29-2/h4-9,14,16H,10-13,15H2,1-3H3,(H,23,25).
What are the key properties of 1-(2,5-dimethoxyphenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide?
1-(2,5-dimethoxyphenyl)sulfonyl-N-[(2-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-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 1093362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).