N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2,5-dimethylphenyl)sulfonylamino]acetamide

C18H20N2O5S — CID 110370561

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2,5-dimethylphenyl)sulfonylamino]acetamide
SMILESCc1ccc(C)c(S(=O)(=O)NCC(=O)Nc2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C18H20N2O5S/c1-12-3-4-13(2)17(9-12)26(22,23)19-11-18(21)20-14-5-6-15-16(10-14)25-8-7-24-15/h3-6,9-10,19H,7-8,11H2,1-2H3,(H,20,21)
InChIKeySCQISOUPPJLCCA-UHFFFAOYSA-N
MW376.43 g/mol
LogP1.99
Rot. Bonds5

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2,5-dimethylphenyl)sulfonylamino]acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2,5-dimethylphenyl)sulfonylamino]acetamide (PubChem CID 110370561) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2,5-dimethylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2,5-dimethylphenyl)sulfonylamino]acetamide
PubChem CID110370561
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2,5-dimethylphenyl)sulfonylamino]acetamide
SMILESCc1ccc(C)c(S(=O)(=O)NCC(=O)Nc2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C18H20N2O5S/c1-12-3-4-13(2)17(9-12)26(22,23)19-11-18(21)20-14-5-6-15-16(10-14)25-8-7-24-15/h3-6,9-10,19H,7-8,11H2,1-2H3,(H,20,21)
InChIKeySCQISOUPPJLCCA-UHFFFAOYSA-N
XLogP1.99
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide
CID 8849984
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2-methylphenyl)sulfonylamino]propanamide
CID 110370751
N-(3,4-dichlorophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]acetamide
CID 113001221
N-(1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)acetamide
CID 110370505
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylanilino)acetamide
CID 37467922
N-(1,3-benzodioxol-5-yl)-2-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]acetamide
CID 110370507
N-(1,3-benzodioxol-5-yl)-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide
CID 110370490
4-[[2-[(2,5-dimethylphenyl)sulfonylamino]acetyl]amino]-N-methylbenzamide
CID 9164619
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2,5-dimethylphenyl)-4-oxobutanamide
CID 51160449
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylphenyl)sulfonylacetamide
CID 5166921
2-(2-chloro-4,6-dimethylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 42125199
2-[(2,5-dimethylphenyl)sulfonylamino]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 9494412

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2,5-dimethylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2,5-dimethylphenyl)sulfonylamino]acetamide (CID 110370561) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2,5-dimethylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2,5-dimethylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2,5-dimethylphenyl)sulfonylamino]acetamide is Cc1ccc(C)c(S(=O)(=O)NCC(=O)Nc2ccc3c(c2)OCCO3)c1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2,5-dimethylphenyl)sulfonylamino]acetamide?
The InChIKey is SCQISOUPPJLCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-12-3-4-13(2)17(9-12)26(22,23)19-11-18(21)20-14-5-6-15-16(10-14)25-8-7-24-15/h3-6,9-10,19H,7-8,11H2,1-2H3,(H,20,21).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2,5-dimethylphenyl)sulfonylamino]acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2,5-dimethylphenyl)sulfonylamino]acetamide has a molecular weight of 376.43 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2,5-dimethylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 110370561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).