N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-(furan-2-yl)propanamide

C17H22N2O5S — CID 17393633

IUPACN-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-(furan-2-yl)propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)CCc2ccco2)c1
InChIInChI=1S/C17H22N2O5S/c1-3-19(4-2)25(22,23)14-8-9-16(20)15(12-14)18-17(21)10-7-13-6-5-11-24-13/h5-6,8-9,11-12,20H,3-4,7,10H2,1-2H3,(H,18,21)
InChIKeyGAFJLRJQEXKFIW-UHFFFAOYSA-N
MW366.44 g/mol
LogP2.59
Rot. Bonds8

About N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-(furan-2-yl)propanamide

N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-(furan-2-yl)propanamide (PubChem CID 17393633) has the molecular formula C17H22N2O5S and a molecular weight of 366.44 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-(furan-2-yl)propanamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-(furan-2-yl)propanamide
PubChem CID17393633
Molecular FormulaC17H22N2O5S
Molecular Weight366.44 g/mol
Exact Mass366.12
IUPAC NameN-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-(furan-2-yl)propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)CCc2ccco2)c1
InChIInChI=1S/C17H22N2O5S/c1-3-19(4-2)25(22,23)14-8-9-16(20)15(12-14)18-17(21)10-7-13-6-5-11-24-13/h5-6,8-9,11-12,20H,3-4,7,10H2,1-2H3,(H,18,21)
InChIKeyGAFJLRJQEXKFIW-UHFFFAOYSA-N
XLogP2.59
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(furan-2-yl)propanoylamino]-4-hydroxybenzoic acid
CID 107264676
3-(furan-2-yl)-N-(4-sulfamoylphenyl)propanamide
CID 18863026
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-thiophen-3-ylacetamide
CID 17421204
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 26011320
3-(furan-2-yl)-N-(2-sulfamoylphenyl)propanamide
CID 61130146
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 30828774
N-[2-[5-(diethylsulfamoyl)-2-hydroxyanilino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 35995593
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-(2-fluorophenoxy)acetamide
CID 3615295
4-(4-acetyl-2-methoxyphenoxy)-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]butanamide
CID 55791807
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-3-(furan-2-yl)propanamide
CID 33297922
3-(furan-2-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)propanamide
CID 26524387
N-[4-[2-(diethylamino)-5-(diethylsulfamoyl)anilino]-4-oxobutyl]furan-2-carboxamide
CID 39753944

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-(furan-2-yl)propanamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-(furan-2-yl)propanamide (CID 17393633) is N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-(furan-2-yl)propanamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-(furan-2-yl)propanamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-(furan-2-yl)propanamide is CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)CCc2ccco2)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-(furan-2-yl)propanamide?
The InChIKey is GAFJLRJQEXKFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5S/c1-3-19(4-2)25(22,23)14-8-9-16(20)15(12-14)18-17(21)10-7-13-6-5-11-24-13/h5-6,8-9,11-12,20H,3-4,7,10H2,1-2H3,(H,18,21).
What are the key properties of N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-(furan-2-yl)propanamide?
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-(furan-2-yl)propanamide has a molecular weight of 366.44 g/mol, XLogP of 2.59, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-(furan-2-yl)propanamide is sourced from PubChem (CID 17393633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).