N-[[4-(2-methylpropylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-3-carboxamide

C20H24N2O4S — CID 126768596

IUPACN-[[4-(2-methylpropylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESCC(C)CNS(=O)(=O)c1ccc(CNC(=O)C2COc3ccccc32)cc1
InChIInChI=1S/C20H24N2O4S/c1-14(2)11-22-27(24,25)16-9-7-15(8-10-16)12-21-20(23)18-13-26-19-6-4-3-5-17(18)19/h3-10,14,18,22H,11-13H2,1-2H3,(H,21,23)
InChIKeyCAZWWJLJKAOFKY-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.41
Rot. Bonds7

About N-[[4-(2-methylpropylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-3-carboxamide

N-[[4-(2-methylpropylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-3-carboxamide (PubChem CID 126768596) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[[4-(2-methylpropylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-methylpropylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-3-carboxamide
PubChem CID126768596
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN-[[4-(2-methylpropylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESCC(C)CNS(=O)(=O)c1ccc(CNC(=O)C2COc3ccccc32)cc1
InChIInChI=1S/C20H24N2O4S/c1-14(2)11-22-27(24,25)16-9-7-15(8-10-16)12-21-20(23)18-13-26-19-6-4-3-5-17(18)19/h3-10,14,18,22H,11-13H2,1-2H3,(H,21,23)
InChIKeyCAZWWJLJKAOFKY-UHFFFAOYSA-N
XLogP2.41
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[4-(2-methylpropylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-3-carboxamide with MolForge

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Related Compounds

Cyprosulfamide
CID 11707647
Glisentide
CID 65779
2-(4-methoxyphenyl)-N-(4-sulfamoylbenzyl)acetamide
CID 4578038
4-(dimethylsulfamoyl)-N-(2-phenoxyethyl)benzamide
CID 2291802
N-[2-(2,3-dihydro-1-benzofuran-7-yl)ethyl]-4-[4-(prop-2-enoylamino)piperidin-1-yl]sulfonylbenzamide
CID 71461969
2-ethoxy-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]benzamide
CID 2109980
4-(dimethylsulfamoyl)-N-[2-(4-ethylphenoxy)ethyl]benzamide
CID 2194745
4-(dimethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 2713344
N-(4-methoxybenzyl)-4-(5-oxo-3-pyrrolidinyl)benzenesulfonamide
CID 2975521
[2-Oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 2999280
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(phenoxymethyl)benzamide
CID 16294238
2-ethoxy-N-[2-[(4-morpholin-4-ylsulfonylphenyl)methylamino]-2-oxoethyl]benzamide
CID 16314922

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methylpropylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The IUPAC name of N-[[4-(2-methylpropylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-3-carboxamide (CID 126768596) is N-[[4-(2-methylpropylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-[[4-(2-methylpropylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The canonical SMILES for N-[[4-(2-methylpropylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-3-carboxamide is CC(C)CNS(=O)(=O)c1ccc(CNC(=O)C2COc3ccccc32)cc1.
What is the InChIKey of N-[[4-(2-methylpropylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The InChIKey is CAZWWJLJKAOFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-14(2)11-22-27(24,25)16-9-7-15(8-10-16)12-21-20(23)18-13-26-19-6-4-3-5-17(18)19/h3-10,14,18,22H,11-13H2,1-2H3,(H,21,23).
What are the key properties of N-[[4-(2-methylpropylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
N-[[4-(2-methylpropylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-3-carboxamide has a molecular weight of 388.49 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methylpropylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-3-carboxamide is sourced from PubChem (CID 126768596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).