N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C22H26N2O6S — CID 46510491

IUPACN-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2Oc3ccccc3OC2C)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C22H26N2O6S/c1-15-21(30-18-9-5-4-8-17(18)29-15)22(25)23-16-10-11-19(28-2)20(14-16)31(26,27)24-12-6-3-7-13-24/h4-5,8-11,14-15,21H,3,6-7,12-13H2,1-2H3,(H,23,25)
InChIKeyCXTUDKQOIBPFRR-UHFFFAOYSA-N
MW446.53 g/mol
LogP3.04
Rot. Bonds5

About N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide

N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 46510491) has the molecular formula C22H26N2O6S and a molecular weight of 446.53 g/mol. Its IUPAC name is N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID46510491
Molecular FormulaC22H26N2O6S
Molecular Weight446.53 g/mol
Exact Mass446.15
IUPAC NameN-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2Oc3ccccc3OC2C)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C22H26N2O6S/c1-15-21(30-18-9-5-4-8-17(18)29-15)22(25)23-16-10-11-19(28-2)20(14-16)31(26,27)24-12-6-3-7-13-24/h4-5,8-11,14-15,21H,3,6-7,12-13H2,1-2H3,(H,23,25)
InChIKeyCXTUDKQOIBPFRR-UHFFFAOYSA-N
XLogP3.04
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide with MolForge

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Related Compounds

(3S)-1-(benzenesulfonyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100660535
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(methylamino)acetamide
CID 119677452
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 26851836
2-(2-methoxyphenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 4800928
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide
CID 8902019
2,6-difluoro-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 7742152
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 38010763
trans-(1R,2S)-N-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-propan-2-ylcyclopropane-1-carboxamide
CID 167767814
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyridine-2-carboxamide
CID 4811508
1-tert-butyl-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)urea
CID 4803267
2-(3,5-dimethylpiperidin-1-yl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 42999312
1-(cyclopropanecarbonyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyrrolidine-2-carboxamide
CID 55630523

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 46510491) is N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide is COc1ccc(NC(=O)C2Oc3ccccc3OC2C)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is CXTUDKQOIBPFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O6S/c1-15-21(30-18-9-5-4-8-17(18)29-15)22(25)23-16-10-11-19(28-2)20(14-16)31(26,27)24-12-6-3-7-13-24/h4-5,8-11,14-15,21H,3,6-7,12-13H2,1-2H3,(H,23,25).
What are the key properties of N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 446.53 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 46510491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).