N-cyclopentyl-2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-methylacetamide

C17H24N2O5S — CID 46771882

IUPACN-cyclopentyl-2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-methylacetamide
SMILESCN(C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O)C1CCCC1
InChIInChI=1S/C17H24N2O5S/c1-18(13-5-3-4-6-13)17(20)12-19(25(2,21)22)14-7-8-15-16(11-14)24-10-9-23-15/h7-8,11,13H,3-6,9-10,12H2,1-2H3
InChIKeyRDXQHRIIUOIJPT-UHFFFAOYSA-N
MW368.46 g/mol
LogP1.62
Rot. Bonds5

About N-cyclopentyl-2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-methylacetamide

N-cyclopentyl-2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-methylacetamide (PubChem CID 46771882) has the molecular formula C17H24N2O5S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-cyclopentyl-2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-methylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-methylacetamide
PubChem CID46771882
Molecular FormulaC17H24N2O5S
Molecular Weight368.46 g/mol
Exact Mass368.14
IUPAC NameN-cyclopentyl-2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-methylacetamide
SMILESCN(C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O)C1CCCC1
InChIInChI=1S/C17H24N2O5S/c1-18(13-5-3-4-6-13)17(20)12-19(25(2,21)22)14-7-8-15-16(11-14)24-10-9-23-15/h7-8,11,13H,3-6,9-10,12H2,1-2H3
InChIKeyRDXQHRIIUOIJPT-UHFFFAOYSA-N
XLogP1.62
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromo-N-methylsulfonylanilino)-N-cyclohexyl-N-methylacetamide
CID 92672264
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
CID 113156552
2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-ethyl-N-phenylacetamide
CID 113156576
(2R)-2-[benzyl-[2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]acetyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 125070314
2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 100565454
(2R)-N-cyclohexyl-2-[[2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]acetyl]-[(2-fluorophenyl)methyl]amino]propanamide
CID 100557363
2-(2-chloro-N-methylsulfonylanilino)-N-cyclopentyl-N-methylacetamide
CID 28575178
2-(2-bromo-N-methylsulfonylanilino)-N-cyclopentyl-N-methylacetamide
CID 43908901
4-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]butanoic acid
CID 91671468
N-(2-aminoethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide
CID 28769971
2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-(4-fluorophenyl)acetamide
CID 113156578
2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-(2-methoxyethyl)acetamide
CID 113156555

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-methylacetamide?
The IUPAC name of N-cyclopentyl-2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-methylacetamide (CID 46771882) is N-cyclopentyl-2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-methylacetamide.
What is the SMILES notation for N-cyclopentyl-2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-methylacetamide?
The canonical SMILES for N-cyclopentyl-2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-methylacetamide is CN(C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O)C1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-methylacetamide?
The InChIKey is RDXQHRIIUOIJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5S/c1-18(13-5-3-4-6-13)17(20)12-19(25(2,21)22)14-7-8-15-16(11-14)24-10-9-23-15/h7-8,11,13H,3-6,9-10,12H2,1-2H3.
What are the key properties of N-cyclopentyl-2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-methylacetamide?
N-cyclopentyl-2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-methylacetamide has a molecular weight of 368.46 g/mol, XLogP of 1.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-methylacetamide is sourced from PubChem (CID 46771882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).