N-(1,3-benzodioxol-5-yl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide

C18H18N2O5S — CID 9401678

IUPACN-(1,3-benzodioxol-5-yl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
SMILESCN(CC(=O)Nc1ccc2c(c1)OCO2)S(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C18H18N2O5S/c1-20(26(22,23)10-9-14-5-3-2-4-6-14)12-18(21)19-15-7-8-16-17(11-15)25-13-24-16/h2-11H,12-13H2,1H3,(H,19,21)/b10-9+
InChIKeyLFNGOFVMZVDIFG-MDZDMXLPSA-N
MW374.42 g/mol
LogP2.29
Rot. Bonds6

About N-(1,3-benzodioxol-5-yl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide

N-(1,3-benzodioxol-5-yl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide (PubChem CID 9401678) has the molecular formula C18H18N2O5S and a molecular weight of 374.42 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
PubChem CID9401678
Molecular FormulaC18H18N2O5S
Molecular Weight374.42 g/mol
Exact Mass374.09
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
SMILESCN(CC(=O)Nc1ccc2c(c1)OCO2)S(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C18H18N2O5S/c1-20(26(22,23)10-9-14-5-3-2-4-6-14)12-18(21)19-15-7-8-16-17(11-15)25-13-24-16/h2-11H,12-13H2,1H3,(H,19,21)/b10-9+
InChIKeyLFNGOFVMZVDIFG-MDZDMXLPSA-N
XLogP2.29
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
CID 9401471
N-(4-ethoxyphenyl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
CID 9400832
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 4-(2-phenylethenylsulfonylamino)benzoate
CID 4840837
N-(1,3-benzodioxol-5-yl)-3-phenylprop-2-enamide
CID 4106400
(Z)-N-(1,3-benzodioxol-5-yl)-2-phenylethenesulfonamide
CID 24867440
N-(2,6-dimethylphenyl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
CID 40682649
2-[acetyl(methyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide
CID 39087396
2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 2594208
N-(1,3-benzodioxol-5-yl)-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide
CID 43909035
N-(1,3-benzodioxol-5-yl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 4818793
(E)-N-[4-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanylphenyl]-3-phenylprop-2-enamide
CID 22779668
N-(1,3-benzodioxol-5-yl)-3,3-dimethylbutanamide
CID 803627

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide (CID 9401678) is N-(1,3-benzodioxol-5-yl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide is CN(CC(=O)Nc1ccc2c(c1)OCO2)S(=O)(=O)/C=C/c1ccccc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide?
The InChIKey is LFNGOFVMZVDIFG-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H18N2O5S/c1-20(26(22,23)10-9-14-5-3-2-4-6-14)12-18(21)19-15-7-8-16-17(11-15)25-13-24-16/h2-11H,12-13H2,1H3,(H,19,21)/b10-9+.
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide?
N-(1,3-benzodioxol-5-yl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide has a molecular weight of 374.42 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide is sourced from PubChem (CID 9401678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).