N-[[4-(dimethylsulfamoyl)phenyl]methyl]-5-methyl-1-benzofuran-2-carboxamide

C19H20N2O4S — CID 55960779

IUPACN-[[4-(dimethylsulfamoyl)phenyl]methyl]-5-methyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)NCc3ccc(S(=O)(=O)N(C)C)cc3)cc2c1
InChIInChI=1S/C19H20N2O4S/c1-13-4-9-17-15(10-13)11-18(25-17)19(22)20-12-14-5-7-16(8-6-14)26(23,24)21(2)3/h4-11H,12H2,1-3H3,(H,20,22)
InChIKeyHDEQFBWYWMQSHE-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.92
Rot. Bonds5

About N-[[4-(dimethylsulfamoyl)phenyl]methyl]-5-methyl-1-benzofuran-2-carboxamide

N-[[4-(dimethylsulfamoyl)phenyl]methyl]-5-methyl-1-benzofuran-2-carboxamide (PubChem CID 55960779) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-[[4-(dimethylsulfamoyl)phenyl]methyl]-5-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylsulfamoyl)phenyl]methyl]-5-methyl-1-benzofuran-2-carboxamide
PubChem CID55960779
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC NameN-[[4-(dimethylsulfamoyl)phenyl]methyl]-5-methyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)NCc3ccc(S(=O)(=O)N(C)C)cc3)cc2c1
InChIInChI=1S/C19H20N2O4S/c1-13-4-9-17-15(10-13)11-18(25-17)19(22)20-12-14-5-7-16(8-6-14)26(23,24)21(2)3/h4-11H,12H2,1-3H3,(H,20,22)
InChIKeyHDEQFBWYWMQSHE-UHFFFAOYSA-N
XLogP2.92
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-hydroxyphenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide
CID 115598745
5-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 55959743
5-chloro-N-[4-(dimethylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 9328773
N-(2-chloropropyl)-5-methyl-1-benzofuran-2-carboxamide
CID 114296664
5-(dimethylsulfamoyl)-N-(3-hydroxy-3-phenylpropyl)-1-benzofuran-2-carboxamide
CID 91950507
4-(dimethylsulfamoyl)-N-[(3-methylphenyl)methyl]benzamide
CID 38294565
5-chloro-N-methyl-N-[(4-methylphenyl)methylsulfamoyl]-1-benzofuran-2-carboxamide
CID 11625341
N-(2-aminobutyl)-5-methyl-1-benzofuran-2-carboxamide
CID 63731357
4-(dimethylsulfamoyl)-N-[(4-ethylphenyl)methyl]benzamide
CID 110779528
5-chloro-N-[(3-methylphenyl)methyl]-1-benzofuran-2-carboxamide
CID 38294036
5-(dimethylsulfamoyl)-N-(3-imidazol-1-ylpropyl)-1-benzofuran-2-carboxamide
CID 91950519
N-(3-chlorobutyl)-5-methyl-1-benzofuran-2-carboxamide
CID 113272749

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylsulfamoyl)phenyl]methyl]-5-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[[4-(dimethylsulfamoyl)phenyl]methyl]-5-methyl-1-benzofuran-2-carboxamide (CID 55960779) is N-[[4-(dimethylsulfamoyl)phenyl]methyl]-5-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[[4-(dimethylsulfamoyl)phenyl]methyl]-5-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[[4-(dimethylsulfamoyl)phenyl]methyl]-5-methyl-1-benzofuran-2-carboxamide is Cc1ccc2oc(C(=O)NCc3ccc(S(=O)(=O)N(C)C)cc3)cc2c1.
What is the InChIKey of N-[[4-(dimethylsulfamoyl)phenyl]methyl]-5-methyl-1-benzofuran-2-carboxamide?
The InChIKey is HDEQFBWYWMQSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-13-4-9-17-15(10-13)11-18(25-17)19(22)20-12-14-5-7-16(8-6-14)26(23,24)21(2)3/h4-11H,12H2,1-3H3,(H,20,22).
What are the key properties of N-[[4-(dimethylsulfamoyl)phenyl]methyl]-5-methyl-1-benzofuran-2-carboxamide?
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-5-methyl-1-benzofuran-2-carboxamide has a molecular weight of 372.45 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylsulfamoyl)phenyl]methyl]-5-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 55960779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).