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

C18H20N2O6S — CID 110370507

IUPACN-(1,3-benzodioxol-5-yl)-2-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]acetamide
SMILESCOc1cc(C)c(S(=O)(=O)NCC(=O)Nc2ccc3c(c2)OCO3)cc1C
InChIInChI=1S/C18H20N2O6S/c1-11-7-17(12(2)6-15(11)24-3)27(22,23)19-9-18(21)20-13-4-5-14-16(8-13)26-10-25-14/h4-8,19H,9-10H2,1-3H3,(H,20,21)
InChIKeyLUSWJYSJBCDDNA-UHFFFAOYSA-N
MW392.43 g/mol
LogP1.96
Rot. Bonds6

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

N-(1,3-benzodioxol-5-yl)-2-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]acetamide (PubChem CID 110370507) has the molecular formula C18H20N2O6S and a molecular weight of 392.43 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]acetamide
PubChem CID110370507
Molecular FormulaC18H20N2O6S
Molecular Weight392.43 g/mol
Exact Mass392.10
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]acetamide
SMILESCOc1cc(C)c(S(=O)(=O)NCC(=O)Nc2ccc3c(c2)OCO3)cc1C
InChIInChI=1S/C18H20N2O6S/c1-11-7-17(12(2)6-15(11)24-3)27(22,23)19-9-18(21)20-13-4-5-14-16(8-13)26-10-25-14/h4-8,19H,9-10H2,1-3H3,(H,20,21)
InChIKeyLUSWJYSJBCDDNA-UHFFFAOYSA-N
XLogP1.96
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethylphenyl)-2-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]acetamide
CID 112996580
N-(4-chlorophenyl)-2-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]acetamide
CID 112997944
N-(3-fluorophenyl)-2-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]acetamide
CID 113000475
N-(1,3-benzodioxol-5-yl)-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide
CID 110370490
2-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]-N-(3-methoxyphenyl)acetamide
CID 112998681
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2,5-dimethylphenyl)sulfonylamino]acetamide
CID 110370561
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxy-2,5-dimethylphenyl)acetamide
CID 110768018
2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]-N-(4-methylphenyl)acetamide
CID 112996215
N-(1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)acetamide
CID 110370505
N-(3,4-difluorophenyl)-2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]acetamide
CID 113002363
N-(1,3-benzodioxol-5-yl)-2-[(4-chlorophenyl)sulfonylamino]acetamide
CID 1210774
N-(1,3-benzodioxol-5-yl)-2-[(2-methylphenyl)methylsulfonylamino]acetamide
CID 110370513

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]acetamide (CID 110370507) is N-(1,3-benzodioxol-5-yl)-2-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]acetamide is COc1cc(C)c(S(=O)(=O)NCC(=O)Nc2ccc3c(c2)OCO3)cc1C.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]acetamide?
The InChIKey is LUSWJYSJBCDDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O6S/c1-11-7-17(12(2)6-15(11)24-3)27(22,23)19-9-18(21)20-13-4-5-14-16(8-13)26-10-25-14/h4-8,19H,9-10H2,1-3H3,(H,20,21).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]acetamide?
N-(1,3-benzodioxol-5-yl)-2-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]acetamide has a molecular weight of 392.43 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 110370507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).