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

C19H22N2O5S — CID 113156576

IUPAC2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C19H22N2O5S/c1-3-20(15-7-5-4-6-8-15)19(22)14-21(27(2,23)24)16-9-10-17-18(13-16)26-12-11-25-17/h4-10,13H,3,11-12,14H2,1-2H3
InChIKeyPKBXKOYBIYWTKG-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.28
Rot. Bonds6

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

2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-ethyl-N-phenylacetamide (PubChem CID 113156576) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is 2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-ethyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-ethyl-N-phenylacetamide
PubChem CID113156576
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C19H22N2O5S/c1-3-20(15-7-5-4-6-8-15)19(22)14-21(27(2,23)24)16-9-10-17-18(13-16)26-12-11-25-17/h4-10,13H,3,11-12,14H2,1-2H3
InChIKeyPKBXKOYBIYWTKG-UHFFFAOYSA-N
XLogP2.28
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-acetyl-N-methylsulfonylanilino)-N-ethyl-N-phenylacetamide
CID 113155655
N-cyclopentyl-2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-methylacetamide
CID 46771882
N-ethyl-N-(3-methylphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 113153695
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-[(2R)-3-methylbutan-2-yl]acetamide
CID 100565454
2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-(2-phenylpropyl)acetamide
CID 133229153
(2S)-2-[benzyl-[2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]acetyl]amino]-N-methyl-3-phenylpropanamide
CID 100661563
2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 30380028
4-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]butanoic acid
CID 91671468
(2R)-2-[[2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]acetyl]-[(2-methylphenyl)methyl]amino]-N-propylbutanamide
CID 100547458
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(N-methylsulfonylanilino)acetamide
CID 133165013
2-[(4-chlorophenyl)methyl-[2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]acetyl]amino]-3-phenyl-N-propylpropanamide
CID 132635553

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-ethyl-N-phenylacetamide?
The IUPAC name of 2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-ethyl-N-phenylacetamide (CID 113156576) is 2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-ethyl-N-phenylacetamide.
What is the SMILES notation for 2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-ethyl-N-phenylacetamide?
The canonical SMILES for 2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-ethyl-N-phenylacetamide is CCN(C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O)c1ccccc1.
What is the InChIKey of 2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-ethyl-N-phenylacetamide?
The InChIKey is PKBXKOYBIYWTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-3-20(15-7-5-4-6-8-15)19(22)14-21(27(2,23)24)16-9-10-17-18(13-16)26-12-11-25-17/h4-10,13H,3,11-12,14H2,1-2H3.
What are the key properties of 2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-ethyl-N-phenylacetamide?
2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-ethyl-N-phenylacetamide has a molecular weight of 390.46 g/mol, XLogP of 2.28, 6 rotatable bonds, 0 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(methylsulfonyl)amino]-N-ethyl-N-phenylacetamide is sourced from PubChem (CID 113156576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).