N-[5-[2,3-dihydro-1,4-benzodioxin-6-yl-[(E)-3-phenylprop-2-enyl]sulfamoyl]-2-methoxyphenyl]acetamide

C26H26N2O6S — CID 17459346

IUPACN-[5-[2,3-dihydro-1,4-benzodioxin-6-yl-[(E)-3-phenylprop-2-enyl]sulfamoyl]-2-methoxyphenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(C/C=C/c2ccccc2)c2ccc3c(c2)OCCO3)cc1NC(C)=O
InChIInChI=1S/C26H26N2O6S/c1-19(29)27-23-18-22(11-13-24(23)32-2)35(30,31)28(14-6-9-20-7-4-3-5-8-20)21-10-12-25-26(17-21)34-16-15-33-25/h3-13,17-18H,14-16H2,1-2H3,(H,27,29)/b9-6+
InChIKeyVECBIPOUMGJHQB-RMKNXTFCSA-N
MW494.57 g/mol
LogP4.33
Rot. Bonds8

About N-[5-[2,3-dihydro-1,4-benzodioxin-6-yl-[(E)-3-phenylprop-2-enyl]sulfamoyl]-2-methoxyphenyl]acetamide

N-[5-[2,3-dihydro-1,4-benzodioxin-6-yl-[(E)-3-phenylprop-2-enyl]sulfamoyl]-2-methoxyphenyl]acetamide (PubChem CID 17459346) has the molecular formula C26H26N2O6S and a molecular weight of 494.57 g/mol. Its IUPAC name is N-[5-[2,3-dihydro-1,4-benzodioxin-6-yl-[(E)-3-phenylprop-2-enyl]sulfamoyl]-2-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[5-[2,3-dihydro-1,4-benzodioxin-6-yl-[(E)-3-phenylprop-2-enyl]sulfamoyl]-2-methoxyphenyl]acetamide
PubChem CID17459346
Molecular FormulaC26H26N2O6S
Molecular Weight494.57 g/mol
Exact Mass494.15
IUPAC NameN-[5-[2,3-dihydro-1,4-benzodioxin-6-yl-[(E)-3-phenylprop-2-enyl]sulfamoyl]-2-methoxyphenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(C/C=C/c2ccccc2)c2ccc3c(c2)OCCO3)cc1NC(C)=O
InChIInChI=1S/C26H26N2O6S/c1-19(29)27-23-18-22(11-13-24(23)32-2)35(30,31)28(14-6-9-20-7-4-3-5-8-20)21-10-12-25-26(17-21)34-16-15-33-25/h3-13,17-18H,14-16H2,1-2H3,(H,27,29)/b9-6+
InChIKeyVECBIPOUMGJHQB-RMKNXTFCSA-N
XLogP4.33
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.57
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(E)-3-(1,3-benzodioxol-5-yl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]prop-2-enamide
CID 7921757
cis-(1S,2R)-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-2-methylcyclopropane-1-carboxamide
CID 129421663
2-[2,3-dihydro-1,4-benzodioxin-6-yl-[(E)-3-phenylprop-2-enyl]amino]-N-(1-methoxypropan-2-yl)acetamide
CID 78826280
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-dimethyl-N-[(E)-3-phenylprop-2-enyl]benzamide
CID 18290678
3-[(3-acetamido-4-methoxyphenyl)sulfonyl-benzylamino]propanamide
CID 24555959
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-nitrophenoxy)-N-[(E)-3-phenylprop-2-enyl]acetamide
CID 39708384
methyl 2-[2,3-dihydro-1,4-benzodioxin-6-yl-(4-fluorophenyl)sulfonylamino]acetate
CID 100504078
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(2-methoxyphenyl)acetamide
CID 112998596
N-(3-formylphenyl)-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-methylbenzenesulfonamide
CID 169040650
(E)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-phenylprop-2-enamide
CID 7733249
methyl 2-[2,3-dihydro-1,4-benzodioxin-6-yl-(4-methylsulfanylphenyl)sulfonylamino]acetate
CID 100518601
N-(2,5-dimethoxyphenyl)-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 1098083

Frequently Asked Questions

What is the IUPAC name of N-[5-[2,3-dihydro-1,4-benzodioxin-6-yl-[(E)-3-phenylprop-2-enyl]sulfamoyl]-2-methoxyphenyl]acetamide?
The IUPAC name of N-[5-[2,3-dihydro-1,4-benzodioxin-6-yl-[(E)-3-phenylprop-2-enyl]sulfamoyl]-2-methoxyphenyl]acetamide (CID 17459346) is N-[5-[2,3-dihydro-1,4-benzodioxin-6-yl-[(E)-3-phenylprop-2-enyl]sulfamoyl]-2-methoxyphenyl]acetamide.
What is the SMILES notation for N-[5-[2,3-dihydro-1,4-benzodioxin-6-yl-[(E)-3-phenylprop-2-enyl]sulfamoyl]-2-methoxyphenyl]acetamide?
The canonical SMILES for N-[5-[2,3-dihydro-1,4-benzodioxin-6-yl-[(E)-3-phenylprop-2-enyl]sulfamoyl]-2-methoxyphenyl]acetamide is COc1ccc(S(=O)(=O)N(C/C=C/c2ccccc2)c2ccc3c(c2)OCCO3)cc1NC(C)=O.
What is the InChIKey of N-[5-[2,3-dihydro-1,4-benzodioxin-6-yl-[(E)-3-phenylprop-2-enyl]sulfamoyl]-2-methoxyphenyl]acetamide?
The InChIKey is VECBIPOUMGJHQB-RMKNXTFCSA-N. The full InChI is InChI=1S/C26H26N2O6S/c1-19(29)27-23-18-22(11-13-24(23)32-2)35(30,31)28(14-6-9-20-7-4-3-5-8-20)21-10-12-25-26(17-21)34-16-15-33-25/h3-13,17-18H,14-16H2,1-2H3,(H,27,29)/b9-6+.
What are the key properties of N-[5-[2,3-dihydro-1,4-benzodioxin-6-yl-[(E)-3-phenylprop-2-enyl]sulfamoyl]-2-methoxyphenyl]acetamide?
N-[5-[2,3-dihydro-1,4-benzodioxin-6-yl-[(E)-3-phenylprop-2-enyl]sulfamoyl]-2-methoxyphenyl]acetamide has a molecular weight of 494.57 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2,3-dihydro-1,4-benzodioxin-6-yl-[(E)-3-phenylprop-2-enyl]sulfamoyl]-2-methoxyphenyl]acetamide is sourced from PubChem (CID 17459346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).