2-methyl-5-piperidin-1-ylsulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide

C24H28N2O5S — CID 42280447

IUPAC2-methyl-5-piperidin-1-ylsulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2
InChIInChI=1S/C24H28N2O5S/c1-17-7-9-19(32(28,29)26-13-5-2-6-14-26)16-20(17)23(27)25-18-8-10-21-22(15-18)31-24(30-21)11-3-4-12-24/h7-10,15-16H,2-6,11-14H2,1H3,(H,25,27)
InChIKeyLVSPYNSYPLXFEG-UHFFFAOYSA-N
MW456.56 g/mol
LogP4.46
Rot. Bonds4

About 2-methyl-5-piperidin-1-ylsulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide

2-methyl-5-piperidin-1-ylsulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide (PubChem CID 42280447) has the molecular formula C24H28N2O5S and a molecular weight of 456.56 g/mol. Its IUPAC name is 2-methyl-5-piperidin-1-ylsulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide.

Molecular Properties

Compound Name2-methyl-5-piperidin-1-ylsulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
PubChem CID42280447
Molecular FormulaC24H28N2O5S
Molecular Weight456.56 g/mol
Exact Mass456.17
IUPAC Name2-methyl-5-piperidin-1-ylsulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2
InChIInChI=1S/C24H28N2O5S/c1-17-7-9-19(32(28,29)26-13-5-2-6-14-26)16-20(17)23(27)25-18-8-10-21-22(15-18)31-24(30-21)11-3-4-12-24/h7-10,15-16H,2-6,11-14H2,1H3,(H,25,27)
InChIKeyLVSPYNSYPLXFEG-UHFFFAOYSA-N
XLogP4.46
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.56
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-5-piperidin-1-ylsulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide with MolForge

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 8701185
5-(azepan-1-ylsulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylbenzamide
CID 28590362
N-(3,5-dimethylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 29176549
N-(4-iodophenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 26638354
N-(3,5-difluorophenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 27906905
2-chloro-5-(methylsulfamoyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
CID 26757457
N-(3,5-dimethylphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26696294
5-(azepan-1-ylsulfonyl)-N-(4-methoxyphenyl)-2-methylbenzamide
CID 53281671
2-methyl-N-(4-morpholin-4-ylphenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 2111262
2-chloro-5-(diethylsulfamoyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
CID 42280403
2,4,5-trimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 100709394
N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-piperidin-1-ylsulfonylbenzamide
CID 55727718

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-piperidin-1-ylsulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide?
The IUPAC name of 2-methyl-5-piperidin-1-ylsulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide (CID 42280447) is 2-methyl-5-piperidin-1-ylsulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide.
What is the SMILES notation for 2-methyl-5-piperidin-1-ylsulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide?
The canonical SMILES for 2-methyl-5-piperidin-1-ylsulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide is Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2.
What is the InChIKey of 2-methyl-5-piperidin-1-ylsulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide?
The InChIKey is LVSPYNSYPLXFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O5S/c1-17-7-9-19(32(28,29)26-13-5-2-6-14-26)16-20(17)23(27)25-18-8-10-21-22(15-18)31-24(30-21)11-3-4-12-24/h7-10,15-16H,2-6,11-14H2,1H3,(H,25,27).
What are the key properties of 2-methyl-5-piperidin-1-ylsulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide?
2-methyl-5-piperidin-1-ylsulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide has a molecular weight of 456.56 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-piperidin-1-ylsulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide is sourced from PubChem (CID 42280447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).