N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide

C23H28N2O5S — CID 55637211

IUPACN-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
SMILESCC1(C)Cc2cccc(OCCNC(=O)CCNS(=O)(=O)/C=C/c3ccccc3)c2O1
InChIInChI=1S/C23H28N2O5S/c1-23(2)17-19-9-6-10-20(22(19)30-23)29-15-14-24-21(26)11-13-25-31(27,28)16-12-18-7-4-3-5-8-18/h3-10,12,16,25H,11,13-15,17H2,1-2H3,(H,24,26)/b16-12+
InChIKeyRHBYHKUJLXPYJJ-FOWTUZBSSA-N
MW444.55 g/mol
LogP2.88
Rot. Bonds10

About N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide

N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide (PubChem CID 55637211) has the molecular formula C23H28N2O5S and a molecular weight of 444.55 g/mol. Its IUPAC name is N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
PubChem CID55637211
Molecular FormulaC23H28N2O5S
Molecular Weight444.55 g/mol
Exact Mass444.17
IUPAC NameN-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
SMILESCC1(C)Cc2cccc(OCCNC(=O)CCNS(=O)(=O)/C=C/c3ccccc3)c2O1
InChIInChI=1S/C23H28N2O5S/c1-23(2)17-19-9-6-10-20(22(19)30-23)29-15-14-24-21(26)11-13-25-31(27,28)16-12-18-7-4-3-5-8-18/h3-10,12,16,25H,11,13-15,17H2,1-2H3,(H,24,26)/b16-12+
InChIKeyRHBYHKUJLXPYJJ-FOWTUZBSSA-N
XLogP2.88
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.55
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(carbamoylamino)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]propanamide
CID 47031231
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-2-(2-phenoxyethoxy)acetamide
CID 55761073
N-[2-(2-chlorophenoxy)ethyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 4918924
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-N',N'-dipropylpentanediamide
CID 56540773
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-1-[4-(2-phenylethenylsulfonyl)piperazin-1-yl]ethanone
CID 4779705
1-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-3-(3-sulfamoylphenyl)urea
CID 38234241
N-[2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 55637212
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanamide
CID 46575837
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]cyclohexanecarboxamide
CID 39285980
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(3-phenylpropyl)acetamide
CID 8551560
N-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]but-2-ynyl]-4-oxo-4-phenylbutanamide
CID 90578370
N-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]but-2-ynyl]propane-2-sulfonamide
CID 90578736

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide?
The IUPAC name of N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide (CID 55637211) is N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide.
What is the SMILES notation for N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide?
The canonical SMILES for N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide is CC1(C)Cc2cccc(OCCNC(=O)CCNS(=O)(=O)/C=C/c3ccccc3)c2O1.
What is the InChIKey of N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide?
The InChIKey is RHBYHKUJLXPYJJ-FOWTUZBSSA-N. The full InChI is InChI=1S/C23H28N2O5S/c1-23(2)17-19-9-6-10-20(22(19)30-23)29-15-14-24-21(26)11-13-25-31(27,28)16-12-18-7-4-3-5-8-18/h3-10,12,16,25H,11,13-15,17H2,1-2H3,(H,24,26)/b16-12+.
What are the key properties of N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide?
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide has a molecular weight of 444.55 g/mol, XLogP of 2.88, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide is sourced from PubChem (CID 55637211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).