2-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide

C20H24N2O4S — CID 51313250

IUPAC2-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(NC(=O)Cc2ccc3c(c2)CCO3)cc1
InChIInChI=1S/C20H24N2O4S/c1-14(2)22(3)27(24,25)18-7-5-17(6-8-18)21-20(23)13-15-4-9-19-16(12-15)10-11-26-19/h4-9,12,14H,10-11,13H2,1-3H3,(H,21,23)
InChIKeyJCQUEELRAPSWIA-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.83
Rot. Bonds6

About 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide

2-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide (PubChem CID 51313250) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide
PubChem CID51313250
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name2-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(NC(=O)Cc2ccc3c(c2)CCO3)cc1
InChIInChI=1S/C20H24N2O4S/c1-14(2)22(3)27(24,25)18-7-5-17(6-8-18)21-20(23)13-15-4-9-19-16(12-15)10-11-26-19/h4-9,12,14H,10-11,13H2,1-3H3,(H,21,23)
InChIKeyJCQUEELRAPSWIA-UHFFFAOYSA-N
XLogP2.83
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydro-1-benzofuran-5-yl)-N-(4-methylsulfonylphenyl)acetamide
CID 51311006
2-(2,3-dihydro-1-benzofuran-5-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 17493168
2-(3,4-dimethylphenyl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide
CID 8759555
2-(4-methylphenyl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide
CID 9224098
N-[4-(cyanomethyl)phenyl]-2-(2,3-dihydro-1-benzofuran-5-yl)acetamide
CID 134012127
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-fluoro-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 86950651
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methylsulfonylphenyl)acetamide
CID 18076854
2-(6-ethyl-1-benzofuran-3-yl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide
CID 9219883
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 26899144
2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid;methanesulfonic acid
CID 159656752
methyl N-[4-[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-ylsulfamoyl]phenyl]carbamate
CID 91813566
N-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutanamide
CID 110726242

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide (CID 51313250) is 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide is CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)Cc2ccc3c(c2)CCO3)cc1.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is JCQUEELRAPSWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-14(2)22(3)27(24,25)18-7-5-17(6-8-18)21-20(23)13-15-4-9-19-16(12-15)10-11-26-19/h4-9,12,14H,10-11,13H2,1-3H3,(H,21,23).
What are the key properties of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide?
2-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 388.49 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 51313250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).