2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(2-phenylethyl)amino]-N-propan-2-ylacetamide

C21H26N2O5S — CID 19260282

IUPAC2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(2-phenylethyl)amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C21H26N2O5S/c1-16(2)22-21(24)15-23(11-10-17-6-4-3-5-7-17)29(25,26)18-8-9-19-20(14-18)28-13-12-27-19/h3-9,14,16H,10-13,15H2,1-2H3,(H,22,24)
InChIKeyOMFXPSWWOFADBW-UHFFFAOYSA-N
MW418.52 g/mol
LogP2.22
Rot. Bonds8

About 2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(2-phenylethyl)amino]-N-propan-2-ylacetamide

2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(2-phenylethyl)amino]-N-propan-2-ylacetamide (PubChem CID 19260282) has the molecular formula C21H26N2O5S and a molecular weight of 418.52 g/mol. Its IUPAC name is 2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(2-phenylethyl)amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(2-phenylethyl)amino]-N-propan-2-ylacetamide
PubChem CID19260282
Molecular FormulaC21H26N2O5S
Molecular Weight418.52 g/mol
Exact Mass418.16
IUPAC Name2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(2-phenylethyl)amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C21H26N2O5S/c1-16(2)22-21(24)15-23(11-10-17-6-4-3-5-7-17)29(25,26)18-8-9-19-20(14-18)28-13-12-27-19/h3-9,14,16H,10-13,15H2,1-2H3,(H,22,24)
InChIKeyOMFXPSWWOFADBW-UHFFFAOYSA-N
XLogP2.22
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(2-phenylethyl)amino]-N-[(2-hydroxyphenyl)methylideneamino]acetamide
CID 3525723
2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methylanilino]-N-propan-2-ylacetamide
CID 19260268
2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-N-propan-2-ylacetamide
CID 8815778
2-[benzenesulfonyl(2-phenylethyl)amino]-N-[(2R)-butan-2-yl]acetamide
CID 92517973
2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-fluoroanilino]-N-(4-phenylbutan-2-yl)acetamide
CID 43900852
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 21373087
2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(1R)-1-phenylethyl]acetamide
CID 30038177
N-[(1R)-1-(4-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 94861126
2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(3-methylbutyl)amino]acetamide
CID 18165466
2-[[2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-fluoroanilino]acetyl]-(2-phenylethyl)amino]-N-methylpropanamide
CID 132688701
2-[methylsulfonyl(3-phenylpropyl)amino]-N-propan-2-ylacetamide
CID 113152686
2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(ethyl)amino]-N-ethylacetamide
CID 24678373

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(2-phenylethyl)amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(2-phenylethyl)amino]-N-propan-2-ylacetamide (CID 19260282) is 2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(2-phenylethyl)amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(2-phenylethyl)amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(2-phenylethyl)amino]-N-propan-2-ylacetamide is CC(C)NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of 2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(2-phenylethyl)amino]-N-propan-2-ylacetamide?
The InChIKey is OMFXPSWWOFADBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5S/c1-16(2)22-21(24)15-23(11-10-17-6-4-3-5-7-17)29(25,26)18-8-9-19-20(14-18)28-13-12-27-19/h3-9,14,16H,10-13,15H2,1-2H3,(H,22,24).
What are the key properties of 2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(2-phenylethyl)amino]-N-propan-2-ylacetamide?
2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(2-phenylethyl)amino]-N-propan-2-ylacetamide has a molecular weight of 418.52 g/mol, XLogP of 2.22, 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-ylsulfonyl(2-phenylethyl)amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 19260282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).