N-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-benzofuran-2-carboxamide

C18H18N2O4S — CID 5129096

IUPACN-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-benzofuran-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc3ccccc3o2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C18H18N2O4S/c1-12-8-9-14(11-17(12)25(22,23)20(2)3)19-18(21)16-10-13-6-4-5-7-15(13)24-16/h4-11H,1-3H3,(H,19,21)
InChIKeyOBNHCTYGPSVJOZ-UHFFFAOYSA-N
MW358.42 g/mol
LogP3.24
Rot. Bonds4

About N-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-benzofuran-2-carboxamide

N-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-benzofuran-2-carboxamide (PubChem CID 5129096) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-benzofuran-2-carboxamide
PubChem CID5129096
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC NameN-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-benzofuran-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc3ccccc3o2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C18H18N2O4S/c1-12-8-9-14(11-17(12)25(22,23)20(2)3)19-18(21)16-10-13-6-4-5-7-15(13)24-16/h4-11H,1-3H3,(H,19,21)
InChIKeyOBNHCTYGPSVJOZ-UHFFFAOYSA-N
XLogP3.24
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-benzofuran-2-carboxamide (CID 5129096) is N-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-benzofuran-2-carboxamide is Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-benzofuran-2-carboxamide?
The InChIKey is OBNHCTYGPSVJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-12-8-9-14(11-17(12)25(22,23)20(2)3)19-18(21)16-10-13-6-4-5-7-15(13)24-16/h4-11H,1-3H3,(H,19,21).
What are the key properties of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-benzofuran-2-carboxamide?
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-benzofuran-2-carboxamide has a molecular weight of 358.42 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 5129096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).