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

C14H20N2O6S — CID 649997

IUPAC2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(methyl)amino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H20N2O6S/c1-16(10-14(17)15-5-6-20-2)23(18,19)11-3-4-12-13(9-11)22-8-7-21-12/h3-4,9H,5-8,10H2,1-2H3,(H,15,17)
InChIKeyVCKHCGYLBLRNEY-UHFFFAOYSA-N
MW344.39 g/mol
LogP-0.16
Rot. Bonds7

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

2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(methyl)amino]-N-(2-methoxyethyl)acetamide (PubChem CID 649997) has the molecular formula C14H20N2O6S and a molecular weight of 344.39 g/mol. Its IUPAC name is 2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(methyl)amino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(methyl)amino]-N-(2-methoxyethyl)acetamide
PubChem CID649997
Molecular FormulaC14H20N2O6S
Molecular Weight344.39 g/mol
Exact Mass344.10
IUPAC Name2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(methyl)amino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H20N2O6S/c1-16(10-14(17)15-5-6-20-2)23(18,19)11-3-4-12-13(9-11)22-8-7-21-12/h3-4,9H,5-8,10H2,1-2H3,(H,15,17)
InChIKeyVCKHCGYLBLRNEY-UHFFFAOYSA-N
XLogP-0.16
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(3-methylbutyl)amino]-N-hydroxy-3-methylbutanamide
CID 57401604
N-cyclopropyl-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 969683
1-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-propylpiperazine
CID 2455954
2-[4-(3,4-Dimethoxyphenyl)sulfonylpiperazin-1-yl]-1-morpholin-4-ylethanone
CID 3457818
2-[(4-Methoxy-benzenesulfonyl)-methyl-amino]-N-(2-morpholin-4-yl-ethyl)-acetamide
CID 6493525
1-(2,6-Difluorophenyl)sulfonyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-2-one
CID 25243734
4-(2,6-Difluorophenyl)sulfonyl-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-2-one
CID 25243737
2-[(3,4-Dimethoxy-benzenesulfonyl)-methyl-amino]-N-(tetrahydro-furan-2-ylmethyl)-acetamide
CID 2946677
N-cyclohexyl-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 1316831
N-(tert-butylcarbamoyl)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]acetamide
CID 2161120
N-(3-methoxypropyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2890764
ethyl 4-{N-[(3,4-dimethoxyphenyl)sulfonyl]-N-methylglycyl}-1-piperazinecarboxylate
CID 2946584

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(methyl)amino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(methyl)amino]-N-(2-methoxyethyl)acetamide (CID 649997) is 2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(methyl)amino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(methyl)amino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(methyl)amino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of 2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(methyl)amino]-N-(2-methoxyethyl)acetamide?
The InChIKey is VCKHCGYLBLRNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O6S/c1-16(10-14(17)15-5-6-20-2)23(18,19)11-3-4-12-13(9-11)22-8-7-21-12/h3-4,9H,5-8,10H2,1-2H3,(H,15,17).
What are the key properties of 2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(methyl)amino]-N-(2-methoxyethyl)acetamide?
2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(methyl)amino]-N-(2-methoxyethyl)acetamide has a molecular weight of 344.39 g/mol, XLogP of -0.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(methyl)amino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 649997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).