4-(2-ethoxyphenoxy)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]butanamide

C23H26N2O6S — CID 29203647

IUPAC4-(2-ethoxyphenoxy)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]butanamide
SMILESCCOc1ccccc1OCCCC(=O)Nc1cccc(S(=O)(=O)NCc2ccco2)c1
InChIInChI=1S/C23H26N2O6S/c1-2-29-21-11-3-4-12-22(21)31-15-7-13-23(26)25-18-8-5-10-20(16-18)32(27,28)24-17-19-9-6-14-30-19/h3-6,8-12,14,16,24H,2,7,13,15,17H2,1H3,(H,25,26)
InChIKeyYAPYDQUOYBQEIR-UHFFFAOYSA-N
MW458.54 g/mol
LogP3.95
Rot. Bonds12

About 4-(2-ethoxyphenoxy)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]butanamide

4-(2-ethoxyphenoxy)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]butanamide (PubChem CID 29203647) has the molecular formula C23H26N2O6S and a molecular weight of 458.54 g/mol. Its IUPAC name is 4-(2-ethoxyphenoxy)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]butanamide.

Molecular Properties

Compound Name4-(2-ethoxyphenoxy)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]butanamide
PubChem CID29203647
Molecular FormulaC23H26N2O6S
Molecular Weight458.54 g/mol
Exact Mass458.15
IUPAC Name4-(2-ethoxyphenoxy)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]butanamide
SMILESCCOc1ccccc1OCCCC(=O)Nc1cccc(S(=O)(=O)NCc2ccco2)c1
InChIInChI=1S/C23H26N2O6S/c1-2-29-21-11-3-4-12-22(21)31-15-7-13-23(26)25-18-8-5-10-20(16-18)32(27,28)24-17-19-9-6-14-30-19/h3-6,8-12,14,16,24H,2,7,13,15,17H2,1H3,(H,25,26)
InChIKeyYAPYDQUOYBQEIR-UHFFFAOYSA-N
XLogP3.95
TPSA106.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.54
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-(2-methoxyphenoxy)propanamide
CID 3532204
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]pentanamide
CID 51154986
2-(2-chlorophenoxy)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 26590215
3-(2-chlorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]propanamide
CID 35559497
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 24531594
3-[[benzyl(methyl)carbamoyl]amino]-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]propanamide
CID 56516173
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2-(3-methoxyphenyl)acetamide
CID 24639742
2-ethoxy-N-[2-[4-(furan-2-ylmethylsulfamoyl)anilino]-2-oxoethyl]benzamide
CID 2534066
4-(2-ethoxyphenoxy)-N-(3-iodophenyl)butanamide
CID 18229012
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-[(3-methylphenyl)sulfonylamino]propanamide
CID 4968582
2-(1,3-dioxoisoindol-2-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 24639699
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]octanamide
CID 17147535

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyphenoxy)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]butanamide?
The IUPAC name of 4-(2-ethoxyphenoxy)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]butanamide (CID 29203647) is 4-(2-ethoxyphenoxy)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]butanamide.
What is the SMILES notation for 4-(2-ethoxyphenoxy)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]butanamide?
The canonical SMILES for 4-(2-ethoxyphenoxy)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]butanamide is CCOc1ccccc1OCCCC(=O)Nc1cccc(S(=O)(=O)NCc2ccco2)c1.
What is the InChIKey of 4-(2-ethoxyphenoxy)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]butanamide?
The InChIKey is YAPYDQUOYBQEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O6S/c1-2-29-21-11-3-4-12-22(21)31-15-7-13-23(26)25-18-8-5-10-20(16-18)32(27,28)24-17-19-9-6-14-30-19/h3-6,8-12,14,16,24H,2,7,13,15,17H2,1H3,(H,25,26).
What are the key properties of 4-(2-ethoxyphenoxy)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]butanamide?
4-(2-ethoxyphenoxy)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]butanamide has a molecular weight of 458.54 g/mol, XLogP of 3.95, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyphenoxy)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]butanamide is sourced from PubChem (CID 29203647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).