2-[2,3-dihydro-1,4-benzodioxin-6-yl(ethylsulfonyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide

C25H32N2O5S — CID 133191433

IUPAC2-[2,3-dihydro-1,4-benzodioxin-6-yl(ethylsulfonyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
SMILESCCC(NC(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC)c1ccc2c(c1)CCCC2
InChIInChI=1S/C25H32N2O5S/c1-3-22(20-10-9-18-7-5-6-8-19(18)15-20)26-25(28)17-27(33(29,30)4-2)21-11-12-23-24(16-21)32-14-13-31-23/h9-12,15-16,22H,3-8,13-14,17H2,1-2H3,(H,26,28)
InChIKeyFUIDFKRGWVHETO-UHFFFAOYSA-N
MW472.61 g/mol
LogP3.76
Rot. Bonds8

About 2-[2,3-dihydro-1,4-benzodioxin-6-yl(ethylsulfonyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide

2-[2,3-dihydro-1,4-benzodioxin-6-yl(ethylsulfonyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide (PubChem CID 133191433) has the molecular formula C25H32N2O5S and a molecular weight of 472.61 g/mol. Its IUPAC name is 2-[2,3-dihydro-1,4-benzodioxin-6-yl(ethylsulfonyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide.

Molecular Properties

Compound Name2-[2,3-dihydro-1,4-benzodioxin-6-yl(ethylsulfonyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
PubChem CID133191433
Molecular FormulaC25H32N2O5S
Molecular Weight472.61 g/mol
Exact Mass472.20
IUPAC Name2-[2,3-dihydro-1,4-benzodioxin-6-yl(ethylsulfonyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
SMILESCCC(NC(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC)c1ccc2c(c1)CCCC2
InChIInChI=1S/C25H32N2O5S/c1-3-22(20-10-9-18-7-5-6-8-19(18)15-20)26-25(28)17-27(33(29,30)4-2)21-11-12-23-24(16-21)32-14-13-31-23/h9-12,15-16,22H,3-8,13-14,17H2,1-2H3,(H,26,28)
InChIKeyFUIDFKRGWVHETO-UHFFFAOYSA-N
XLogP3.76
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.61
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]-N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide
CID 125081310
2-[2,3-dihydro-1,4-benzodioxin-6-yl(ethylsulfonyl)amino]-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 100581063
2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 132611031
2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 99950417
2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
CID 133191146
2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
CID 133191288
2-[N-(dimethylsulfamoyl)anilino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
CID 133191316
2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide
CID 133188775
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide
CID 127117899
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
CID 133191102
2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide
CID 30252296
2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[(1R)-1-(3,4-dimethylphenyl)propyl]acetamide
CID 30248852

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dihydro-1,4-benzodioxin-6-yl(ethylsulfonyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide?
The IUPAC name of 2-[2,3-dihydro-1,4-benzodioxin-6-yl(ethylsulfonyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide (CID 133191433) is 2-[2,3-dihydro-1,4-benzodioxin-6-yl(ethylsulfonyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide.
What is the SMILES notation for 2-[2,3-dihydro-1,4-benzodioxin-6-yl(ethylsulfonyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide?
The canonical SMILES for 2-[2,3-dihydro-1,4-benzodioxin-6-yl(ethylsulfonyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide is CCC(NC(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC)c1ccc2c(c1)CCCC2.
What is the InChIKey of 2-[2,3-dihydro-1,4-benzodioxin-6-yl(ethylsulfonyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide?
The InChIKey is FUIDFKRGWVHETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O5S/c1-3-22(20-10-9-18-7-5-6-8-19(18)15-20)26-25(28)17-27(33(29,30)4-2)21-11-12-23-24(16-21)32-14-13-31-23/h9-12,15-16,22H,3-8,13-14,17H2,1-2H3,(H,26,28).
What are the key properties of 2-[2,3-dihydro-1,4-benzodioxin-6-yl(ethylsulfonyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide?
2-[2,3-dihydro-1,4-benzodioxin-6-yl(ethylsulfonyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide has a molecular weight of 472.61 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-dihydro-1,4-benzodioxin-6-yl(ethylsulfonyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide is sourced from PubChem (CID 133191433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).