N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide

C21H24N2O5S — CID 55360681

IUPACN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
SMILESCC(NC(=O)CCNS(=O)(=O)/C=C/c1ccccc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C21H24N2O5S/c1-16(18-7-8-19-20(15-18)28-13-12-27-19)23-21(24)9-11-22-29(25,26)14-10-17-5-3-2-4-6-17/h2-8,10,14-16,22H,9,11-13H2,1H3,(H,23,24)/b14-10+
InChIKeyFSQYNUSIEJOKNE-GXDHUFHOSA-N
MW416.50 g/mol
LogP2.62
Rot. Bonds8

About N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide (PubChem CID 55360681) has the molecular formula C21H24N2O5S and a molecular weight of 416.50 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
PubChem CID55360681
Molecular FormulaC21H24N2O5S
Molecular Weight416.50 g/mol
Exact Mass416.14
IUPAC NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
SMILESCC(NC(=O)CCNS(=O)(=O)/C=C/c1ccccc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C21H24N2O5S/c1-16(18-7-8-19-20(15-18)28-13-12-27-19)23-21(24)9-11-22-29(25,26)14-10-17-5-3-2-4-6-17/h2-8,10,14-16,22H,9,11-13H2,1H3,(H,23,24)/b14-10+
InChIKeyFSQYNUSIEJOKNE-GXDHUFHOSA-N
XLogP2.62
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3,4-difluorophenyl)ethyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
CID 51164887
3-[(4-acetylphenyl)sulfonylamino]-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]propanamide
CID 41259437
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(N-methylsulfonylanilino)acetamide
CID 133165013
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3,3-dimethylbutanamide
CID 47111685
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-phenoxyacetamide
CID 92540665
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[(4,6-dimethylpyrimidin-2-yl)amino]propanamide
CID 92614769
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(2-fluorophenyl)propanamide
CID 94139427
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
CID 18116527
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-methylphenyl)acetamide
CID 51177669
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-[(4-tert-butylphenyl)sulfonylamino]propanamide
CID 24610211
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(2-methoxy-N-methylsulfonylanilino)butanamide
CID 133230550
5-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-5-oxopentanoic acid
CID 39853266

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide?
The IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide (CID 55360681) is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide?
The canonical SMILES for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide is CC(NC(=O)CCNS(=O)(=O)/C=C/c1ccccc1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide?
The InChIKey is FSQYNUSIEJOKNE-GXDHUFHOSA-N. The full InChI is InChI=1S/C21H24N2O5S/c1-16(18-7-8-19-20(15-18)28-13-12-27-19)23-21(24)9-11-22-29(25,26)14-10-17-5-3-2-4-6-17/h2-8,10,14-16,22H,9,11-13H2,1H3,(H,23,24)/b14-10+.
What are the key properties of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide?
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide has a molecular weight of 416.50 g/mol, XLogP of 2.62, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide is sourced from PubChem (CID 55360681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).