N-(3-acetamidophenyl)-2-(1,3-benzodioxol-5-ylsulfonylamino)acetamide

C17H17N3O6S — CID 112999713

IUPACN-(3-acetamidophenyl)-2-(1,3-benzodioxol-5-ylsulfonylamino)acetamide
SMILESCC(=O)Nc1cccc(NC(=O)CNS(=O)(=O)c2ccc3c(c2)OCO3)c1
InChIInChI=1S/C17H17N3O6S/c1-11(21)19-12-3-2-4-13(7-12)20-17(22)9-18-27(23,24)14-5-6-15-16(8-14)26-10-25-15/h2-8,18H,9-10H2,1H3,(H,19,21)(H,20,22)
InChIKeySKRBOUHMSPVHCV-UHFFFAOYSA-N
MW391.41 g/mol
LogP1.29
Rot. Bonds6

About N-(3-acetamidophenyl)-2-(1,3-benzodioxol-5-ylsulfonylamino)acetamide

N-(3-acetamidophenyl)-2-(1,3-benzodioxol-5-ylsulfonylamino)acetamide (PubChem CID 112999713) has the molecular formula C17H17N3O6S and a molecular weight of 391.41 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-(1,3-benzodioxol-5-ylsulfonylamino)acetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-(1,3-benzodioxol-5-ylsulfonylamino)acetamide
PubChem CID112999713
Molecular FormulaC17H17N3O6S
Molecular Weight391.41 g/mol
Exact Mass391.08
IUPAC NameN-(3-acetamidophenyl)-2-(1,3-benzodioxol-5-ylsulfonylamino)acetamide
SMILESCC(=O)Nc1cccc(NC(=O)CNS(=O)(=O)c2ccc3c(c2)OCO3)c1
InChIInChI=1S/C17H17N3O6S/c1-11(21)19-12-3-2-4-13(7-12)20-17(22)9-18-27(23,24)14-5-6-15-16(8-14)26-10-25-15/h2-8,18H,9-10H2,1H3,(H,19,21)(H,20,22)
InChIKeySKRBOUHMSPVHCV-UHFFFAOYSA-N
XLogP1.29
TPSA122.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.41
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)acetamide
CID 110370505
N-(1,3-benzodioxol-5-yl)-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide
CID 110370490
2-(1,3-benzodioxol-5-ylsulfonylamino)-N-(4-tert-butylphenyl)acetamide
CID 112997615
2-(1,3-benzodioxol-5-ylsulfonylamino)-N-[4-(dimethylamino)phenyl]acetamide
CID 110407287
methyl 4-[[2-(1,3-benzodioxol-5-ylsulfonylamino)acetyl]amino]benzoate
CID 112999981
3-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 110606353
N-(1,3-benzodioxol-5-yl)-2-[(4-chlorophenyl)sulfonylamino]acetamide
CID 1210774
2-(1,3-benzodioxol-5-ylsulfonylamino)-N-[(2-methylphenyl)methyl]acetamide
CID 112992128
N-(3-acetamidophenyl)-2-[(4-methoxyphenyl)sulfonylamino]acetamide
CID 26584175
2-(1,3-benzodioxol-5-ylsulfonylamino)acetate
CID 7744996
2-(1,3-benzodioxol-5-ylsulfonylamino)-N-[2-(dimethylamino)ethyl]acetamide
CID 112991498
2-(1,3-benzodioxol-5-ylsulfonylamino)-N-(2,4-dimethoxyphenyl)acetamide
CID 112999264

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-(1,3-benzodioxol-5-ylsulfonylamino)acetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-(1,3-benzodioxol-5-ylsulfonylamino)acetamide (CID 112999713) is N-(3-acetamidophenyl)-2-(1,3-benzodioxol-5-ylsulfonylamino)acetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-(1,3-benzodioxol-5-ylsulfonylamino)acetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-(1,3-benzodioxol-5-ylsulfonylamino)acetamide is CC(=O)Nc1cccc(NC(=O)CNS(=O)(=O)c2ccc3c(c2)OCO3)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-(1,3-benzodioxol-5-ylsulfonylamino)acetamide?
The InChIKey is SKRBOUHMSPVHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O6S/c1-11(21)19-12-3-2-4-13(7-12)20-17(22)9-18-27(23,24)14-5-6-15-16(8-14)26-10-25-15/h2-8,18H,9-10H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-(3-acetamidophenyl)-2-(1,3-benzodioxol-5-ylsulfonylamino)acetamide?
N-(3-acetamidophenyl)-2-(1,3-benzodioxol-5-ylsulfonylamino)acetamide has a molecular weight of 391.41 g/mol, XLogP of 1.29, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-(1,3-benzodioxol-5-ylsulfonylamino)acetamide is sourced from PubChem (CID 112999713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).