N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2,3-dihydro-1-benzofuran-5-carboxamide

C19H22N2O5S — CID 46581387

IUPACN-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2ccc3c(c2)CCO3)c1
InChIInChI=1S/C19H22N2O5S/c1-3-21(4-2)27(24,25)15-6-7-17(22)16(12-15)20-19(23)14-5-8-18-13(11-14)9-10-26-18/h5-8,11-12,22H,3-4,9-10H2,1-2H3,(H,20,23)
InChIKeyLJOUBDQLEIWGER-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.61
Rot. Bonds6

About N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2,3-dihydro-1-benzofuran-5-carboxamide

N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 46581387) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID46581387
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC NameN-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2ccc3c(c2)CCO3)c1
InChIInChI=1S/C19H22N2O5S/c1-3-21(4-2)27(24,25)15-6-7-17(22)16(12-15)20-19(23)14-5-8-18-13(11-14)9-10-26-18/h5-8,11-12,22H,3-4,9-10H2,1-2H3,(H,20,23)
InChIKeyLJOUBDQLEIWGER-UHFFFAOYSA-N
XLogP2.61
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2,3-dihydro-1-benzofuran-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-tert-butyl-2-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 46581242
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-4-propan-2-ylbenzamide
CID 35993040
3-(diethylsulfamoyl)-N-(2-hydroxyphenyl)benzamide
CID 793744
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 24564260
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-6-methylpyridine-2-carboxamide
CID 32930504
N-benzyl-N-ethyl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51178749
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2,3-dimethylbenzamide
CID 35993068
N-(2-fluorophenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 110693454
N-(5-fluoro-2-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 46583863
N-(4-chloro-2,5-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 110693481
4-chloro-N-(5-chloro-2-hydroxyphenyl)-3-(diethylsulfamoyl)benzamide
CID 56581135
N-[2-[5-(diethylsulfamoyl)-2-hydroxyanilino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 35995593

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2,3-dihydro-1-benzofuran-5-carboxamide (CID 46581387) is N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2,3-dihydro-1-benzofuran-5-carboxamide is CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2ccc3c(c2)CCO3)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is LJOUBDQLEIWGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-3-21(4-2)27(24,25)15-6-7-17(22)16(12-15)20-19(23)14-5-8-18-13(11-14)9-10-26-18/h5-8,11-12,22H,3-4,9-10H2,1-2H3,(H,20,23).
What are the key properties of N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 390.46 g/mol, XLogP of 2.61, 6 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]-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 46581387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).