N-[2-(furan-2-ylmethylsulfamoyl)ethyl]-4-phenoxybutanamide

C17H22N2O5S — CID 110345873

IUPACN-[2-(furan-2-ylmethylsulfamoyl)ethyl]-4-phenoxybutanamide
SMILESO=C(CCCOc1ccccc1)NCCS(=O)(=O)NCc1ccco1
InChIInChI=1S/C17H22N2O5S/c20-17(9-5-12-23-15-6-2-1-3-7-15)18-10-13-25(21,22)19-14-16-8-4-11-24-16/h1-4,6-8,11,19H,5,9-10,12-14H2,(H,18,20)
InChIKeyQKNWLSFCFZQFBK-UHFFFAOYSA-N
MW366.44 g/mol
LogP1.67
Rot. Bonds11

About N-[2-(furan-2-ylmethylsulfamoyl)ethyl]-4-phenoxybutanamide

N-[2-(furan-2-ylmethylsulfamoyl)ethyl]-4-phenoxybutanamide (PubChem CID 110345873) has the molecular formula C17H22N2O5S and a molecular weight of 366.44 g/mol. Its IUPAC name is N-[2-(furan-2-ylmethylsulfamoyl)ethyl]-4-phenoxybutanamide.

Molecular Properties

Compound NameN-[2-(furan-2-ylmethylsulfamoyl)ethyl]-4-phenoxybutanamide
PubChem CID110345873
Molecular FormulaC17H22N2O5S
Molecular Weight366.44 g/mol
Exact Mass366.12
IUPAC NameN-[2-(furan-2-ylmethylsulfamoyl)ethyl]-4-phenoxybutanamide
SMILESO=C(CCCOc1ccccc1)NCCS(=O)(=O)NCc1ccco1
InChIInChI=1S/C17H22N2O5S/c20-17(9-5-12-23-15-6-2-1-3-7-15)18-10-13-25(21,22)19-14-16-8-4-11-24-16/h1-4,6-8,11,19H,5,9-10,12-14H2,(H,18,20)
InChIKeyQKNWLSFCFZQFBK-UHFFFAOYSA-N
XLogP1.67
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 51.67
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-(furan-2-yl)-N-(2-phenoxyethyl)propanamide
CID 78771849
3-(4-fluorophenoxy)-N-(furan-2-ylmethyl)propane-1-sulfonamide
CID 16884354
2-fluoro-N-[2-(furan-2-ylmethylsulfamoyl)ethyl]benzamide
CID 110345851
1-(furan-2-ylmethyl)-3-(2-phenoxyethyl)urea
CID 47125764
(2S)-N-(furan-2-ylmethyl)-4-methyl-2-(4-phenoxybutanoylamino)pentanamide
CID 110351255
N-[2-(furan-2-ylmethylsulfamoyl)ethyl]-2-methylbenzamide
CID 110345848
4-phenoxy-N-[2-(propanoylamino)ethyl]butanamide
CID 108541761
N-[2-(furan-2-ylmethylsulfamoyl)ethyl]-3-phenylbenzamide
CID 110345892
4-chloro-N-[2-(furan-2-ylmethylsulfamoyl)ethyl]benzamide
CID 110345881
5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-(2-phenoxyethyl)benzamide
CID 32934312
4-(furan-2-ylmethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide
CID 2555092
4-phenoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]butanamide
CID 108934823

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-ylmethylsulfamoyl)ethyl]-4-phenoxybutanamide?
The IUPAC name of N-[2-(furan-2-ylmethylsulfamoyl)ethyl]-4-phenoxybutanamide (CID 110345873) is N-[2-(furan-2-ylmethylsulfamoyl)ethyl]-4-phenoxybutanamide.
What is the SMILES notation for N-[2-(furan-2-ylmethylsulfamoyl)ethyl]-4-phenoxybutanamide?
The canonical SMILES for N-[2-(furan-2-ylmethylsulfamoyl)ethyl]-4-phenoxybutanamide is O=C(CCCOc1ccccc1)NCCS(=O)(=O)NCc1ccco1.
What is the InChIKey of N-[2-(furan-2-ylmethylsulfamoyl)ethyl]-4-phenoxybutanamide?
The InChIKey is QKNWLSFCFZQFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5S/c20-17(9-5-12-23-15-6-2-1-3-7-15)18-10-13-25(21,22)19-14-16-8-4-11-24-16/h1-4,6-8,11,19H,5,9-10,12-14H2,(H,18,20).
What are the key properties of N-[2-(furan-2-ylmethylsulfamoyl)ethyl]-4-phenoxybutanamide?
N-[2-(furan-2-ylmethylsulfamoyl)ethyl]-4-phenoxybutanamide has a molecular weight of 366.44 g/mol, XLogP of 1.67, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-ylmethylsulfamoyl)ethyl]-4-phenoxybutanamide is sourced from PubChem (CID 110345873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).