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

C20H24N2O4S — CID 42926752

IUPACN-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCC(C)NS(=O)(=O)Cc1ccc(CNC(=O)C2Cc3ccccc3O2)cc1
InChIInChI=1S/C20H24N2O4S/c1-14(2)22-27(24,25)13-16-9-7-15(8-10-16)12-21-20(23)19-11-17-5-3-4-6-18(17)26-19/h3-10,14,19,22H,11-13H2,1-2H3,(H,21,23)
InChIKeyMEMXSIMHNYWJDX-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.13
Rot. Bonds7

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

N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 42926752) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID42926752
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCC(C)NS(=O)(=O)Cc1ccc(CNC(=O)C2Cc3ccccc3O2)cc1
InChIInChI=1S/C20H24N2O4S/c1-14(2)22-27(24,25)13-16-9-7-15(8-10-16)12-21-20(23)19-11-17-5-3-4-6-18(17)26-19/h3-10,14,19,22H,11-13H2,1-2H3,(H,21,23)
InChIKeyMEMXSIMHNYWJDX-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 42926752) is N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide is CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)C2Cc3ccccc3O2)cc1.
What is the InChIKey of N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is MEMXSIMHNYWJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-14(2)22-27(24,25)13-16-9-7-15(8-10-16)12-21-20(23)19-11-17-5-3-4-6-18(17)26-19/h3-10,14,19,22H,11-13H2,1-2H3,(H,21,23).
What are the key properties of N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 388.49 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 42926752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).