N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

C17H20N2O5S2 — CID 18113181

IUPACN-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCN(CC(=O)NCCc1ccc2c(c1)OCCO2)S(=O)(=O)c1cccs1
InChIInChI=1S/C17H20N2O5S2/c1-19(26(21,22)17-3-2-10-25-17)12-16(20)18-7-6-13-4-5-14-15(11-13)24-9-8-23-14/h2-5,10-11H,6-9,12H2,1H3,(H,18,20)
InChIKeyMNBPHESBHRQFAI-UHFFFAOYSA-N
MW396.49 g/mol
LogP1.50
Rot. Bonds7

About N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (PubChem CID 18113181) has the molecular formula C17H20N2O5S2 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
PubChem CID18113181
Molecular FormulaC17H20N2O5S2
Molecular Weight396.49 g/mol
Exact Mass396.08
IUPAC NameN-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCN(CC(=O)NCCc1ccc2c(c1)OCCO2)S(=O)(=O)c1cccs1
InChIInChI=1S/C17H20N2O5S2/c1-19(26(21,22)17-3-2-10-25-17)12-16(20)18-7-6-13-4-5-14-15(11-13)24-9-8-23-14/h2-5,10-11H,6-9,12H2,1H3,(H,18,20)
InChIKeyMNBPHESBHRQFAI-UHFFFAOYSA-N
XLogP1.50
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[methyl(thiophen-2-ylsulfonyl)amino]-N-pentylacetamide
CID 18108266
5-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]pentanoic acid
CID 62032128
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64531805
2-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]acetamide
CID 60668235
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(methylamino)acetamide
CID 24694943
N-(2-hydroxy-2-methylpropyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 65109706
N-(2-hydroxypropyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 43418420
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 18113796
3-amino-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]propanamide;hydrochloride
CID 119266691
N-[2-(4-methylphenyl)ethyl]-2-(4-methyl-N-thiophen-2-ylsulfonylanilino)acetamide
CID 20855643
2-amino-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide;hydrochloride
CID 119266692
N-(2-ethylbutyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 115612731

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The IUPAC name of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (CID 18113181) is N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is CN(CC(=O)NCCc1ccc2c(c1)OCCO2)S(=O)(=O)c1cccs1.
What is the InChIKey of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The InChIKey is MNBPHESBHRQFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S2/c1-19(26(21,22)17-3-2-10-25-17)12-16(20)18-7-6-13-4-5-14-15(11-13)24-9-8-23-14/h2-5,10-11H,6-9,12H2,1H3,(H,18,20).
What are the key properties of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide has a molecular weight of 396.49 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 18113181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).