2-[(4-acetamidophenyl)sulfonylamino]-N-(1,3-benzodioxol-5-yl)acetamide

C17H17N3O6S — CID 2089029

IUPAC2-[(4-acetamidophenyl)sulfonylamino]-N-(1,3-benzodioxol-5-yl)acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCC(=O)Nc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C17H17N3O6S/c1-11(21)19-12-2-5-14(6-3-12)27(23,24)18-9-17(22)20-13-4-7-15-16(8-13)26-10-25-15/h2-8,18H,9-10H2,1H3,(H,19,21)(H,20,22)
InChIKeyMNAXIMMMZASVQN-UHFFFAOYSA-N
MW391.41 g/mol
LogP1.29
Rot. Bonds6

About 2-[(4-acetamidophenyl)sulfonylamino]-N-(1,3-benzodioxol-5-yl)acetamide

2-[(4-acetamidophenyl)sulfonylamino]-N-(1,3-benzodioxol-5-yl)acetamide (PubChem CID 2089029) has the molecular formula C17H17N3O6S and a molecular weight of 391.41 g/mol. Its IUPAC name is 2-[(4-acetamidophenyl)sulfonylamino]-N-(1,3-benzodioxol-5-yl)acetamide.

Molecular Properties

Compound Name2-[(4-acetamidophenyl)sulfonylamino]-N-(1,3-benzodioxol-5-yl)acetamide
PubChem CID2089029
Molecular FormulaC17H17N3O6S
Molecular Weight391.41 g/mol
Exact Mass391.08
IUPAC Name2-[(4-acetamidophenyl)sulfonylamino]-N-(1,3-benzodioxol-5-yl)acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCC(=O)Nc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C17H17N3O6S/c1-11(21)19-12-2-5-14(6-3-12)27(23,24)18-9-17(22)20-13-4-7-15-16(8-13)26-10-25-15/h2-8,18H,9-10H2,1H3,(H,19,21)(H,20,22)
InChIKeyMNAXIMMMZASVQN-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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Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetamidophenyl)sulfonylamino]-N-(1,3-benzodioxol-5-yl)acetamide?
The IUPAC name of 2-[(4-acetamidophenyl)sulfonylamino]-N-(1,3-benzodioxol-5-yl)acetamide (CID 2089029) is 2-[(4-acetamidophenyl)sulfonylamino]-N-(1,3-benzodioxol-5-yl)acetamide.
What is the SMILES notation for 2-[(4-acetamidophenyl)sulfonylamino]-N-(1,3-benzodioxol-5-yl)acetamide?
The canonical SMILES for 2-[(4-acetamidophenyl)sulfonylamino]-N-(1,3-benzodioxol-5-yl)acetamide is CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)Nc2ccc3c(c2)OCO3)cc1.
What is the InChIKey of 2-[(4-acetamidophenyl)sulfonylamino]-N-(1,3-benzodioxol-5-yl)acetamide?
The InChIKey is MNAXIMMMZASVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O6S/c1-11(21)19-12-2-5-14(6-3-12)27(23,24)18-9-17(22)20-13-4-7-15-16(8-13)26-10-25-15/h2-8,18H,9-10H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 2-[(4-acetamidophenyl)sulfonylamino]-N-(1,3-benzodioxol-5-yl)acetamide?
2-[(4-acetamidophenyl)sulfonylamino]-N-(1,3-benzodioxol-5-yl)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 2-[(4-acetamidophenyl)sulfonylamino]-N-(1,3-benzodioxol-5-yl)acetamide is sourced from PubChem (CID 2089029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).