N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-piperidin-1-ylsulfonylbenzamide

C22H26N2O5S — CID 55336076

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-piperidin-1-ylsulfonylbenzamide
SMILESCN(Cc1ccc2c(c1)OCCO2)C(=O)c1ccccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C22H26N2O5S/c1-23(16-17-9-10-19-20(15-17)29-14-13-28-19)22(25)18-7-3-4-8-21(18)30(26,27)24-11-5-2-6-12-24/h3-4,7-10,15H,2,5-6,11-14,16H2,1H3
InChIKeyHMHHRNHYNYCBEC-UHFFFAOYSA-N
MW430.53 g/mol
LogP2.90
Rot. Bonds5

About N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-piperidin-1-ylsulfonylbenzamide

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-piperidin-1-ylsulfonylbenzamide (PubChem CID 55336076) has the molecular formula C22H26N2O5S and a molecular weight of 430.53 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-piperidin-1-ylsulfonylbenzamide
PubChem CID55336076
Molecular FormulaC22H26N2O5S
Molecular Weight430.53 g/mol
Exact Mass430.16
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-piperidin-1-ylsulfonylbenzamide
SMILESCN(Cc1ccc2c(c1)OCCO2)C(=O)c1ccccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C22H26N2O5S/c1-23(16-17-9-10-19-20(15-17)29-14-13-28-19)22(25)18-7-3-4-8-21(18)30(26,27)24-11-5-2-6-12-24/h3-4,7-10,15H,2,5-6,11-14,16H2,1H3
InChIKeyHMHHRNHYNYCBEC-UHFFFAOYSA-N
XLogP2.90
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-morpholin-4-ylsulfonylbenzamide
CID 55622631
N-[(2,4-difluorophenyl)methyl]-N-methyl-2-piperidin-1-ylsulfonylbenzamide
CID 55549584
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-methylthiophene-2-carboxamide
CID 30805645
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-2-piperidin-1-ylsulfonylbenzamide
CID 55417929
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-methylpiperidine-4-carboxamide
CID 55336042
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethylquinoline-4-carboxamide
CID 32520142
2-benzamido-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylbenzamide
CID 34765093
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 27863741
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 17498076
N-(3,5-dimethylphenyl)-N-methyl-2-piperidin-1-ylsulfonylbenzamide
CID 55918493
N-methyl-2-piperidin-1-ylsulfonyl-N-(2-pyridin-2-ylethyl)benzamide
CID 78795855
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-methylsulfonylbenzamide
CID 18081456

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-piperidin-1-ylsulfonylbenzamide (CID 55336076) is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-piperidin-1-ylsulfonylbenzamide is CN(Cc1ccc2c(c1)OCCO2)C(=O)c1ccccc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-piperidin-1-ylsulfonylbenzamide?
The InChIKey is HMHHRNHYNYCBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5S/c1-23(16-17-9-10-19-20(15-17)29-14-13-28-19)22(25)18-7-3-4-8-21(18)30(26,27)24-11-5-2-6-12-24/h3-4,7-10,15H,2,5-6,11-14,16H2,1H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-piperidin-1-ylsulfonylbenzamide?
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-piperidin-1-ylsulfonylbenzamide has a molecular weight of 430.53 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 55336076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).