5-methoxy-2-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]-1-benzofuran-3-carboxamide

C19H20N2O5S — CID 87017070

IUPAC5-methoxy-2-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]-1-benzofuran-3-carboxamide
SMILESCNS(=O)(=O)c1cccc(CNC(=O)c2c(C)oc3ccc(OC)cc23)c1
InChIInChI=1S/C19H20N2O5S/c1-12-18(16-10-14(25-3)7-8-17(16)26-12)19(22)21-11-13-5-4-6-15(9-13)27(23,24)20-2/h4-10,20H,11H2,1-3H3,(H,21,22)
InChIKeyXYDPPHVNCKXXKY-UHFFFAOYSA-N
MW388.45 g/mol
LogP2.59
Rot. Bonds6

About 5-methoxy-2-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]-1-benzofuran-3-carboxamide

5-methoxy-2-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]-1-benzofuran-3-carboxamide (PubChem CID 87017070) has the molecular formula C19H20N2O5S and a molecular weight of 388.45 g/mol. Its IUPAC name is 5-methoxy-2-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name5-methoxy-2-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]-1-benzofuran-3-carboxamide
PubChem CID87017070
Molecular FormulaC19H20N2O5S
Molecular Weight388.45 g/mol
Exact Mass388.11
IUPAC Name5-methoxy-2-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]-1-benzofuran-3-carboxamide
SMILESCNS(=O)(=O)c1cccc(CNC(=O)c2c(C)oc3ccc(OC)cc23)c1
InChIInChI=1S/C19H20N2O5S/c1-12-18(16-10-14(25-3)7-8-17(16)26-12)19(22)21-11-13-5-4-6-15(9-13)27(23,24)20-2/h4-10,20H,11H2,1-3H3,(H,21,22)
InChIKeyXYDPPHVNCKXXKY-UHFFFAOYSA-N
XLogP2.59
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(carbamoylamino)phenyl]methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 55910440
N-[(2-chlorophenyl)methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 51065486
5-methoxy-2-methyl-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-1-benzofuran-3-carboxamide
CID 55839775
N-[3-(benzenesulfonamido)phenyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 60514662
N-[2-(3-chlorophenoxy)ethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 55793954
N-[2-(furan-2-yl)-2-hydroxyethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 110899118
2-[(4-methoxybenzoyl)amino]-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide
CID 55656448
4-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]butanoic acid
CID 13415654
5-methoxy-2-methyl-N-[3-(3-methylphenoxy)propyl]-1-benzofuran-3-carboxamide
CID 55789548
5-methoxy-2-methyl-N-(3-methylphenyl)-1-benzofuran-3-carboxamide
CID 51065526
N-[(1-hydroxycyclopentyl)methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 111331196
N-(3-hydroxy-3-phenylpropyl)-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 111471937

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]-1-benzofuran-3-carboxamide?
The IUPAC name of 5-methoxy-2-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]-1-benzofuran-3-carboxamide (CID 87017070) is 5-methoxy-2-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]-1-benzofuran-3-carboxamide.
What is the SMILES notation for 5-methoxy-2-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]-1-benzofuran-3-carboxamide?
The canonical SMILES for 5-methoxy-2-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]-1-benzofuran-3-carboxamide is CNS(=O)(=O)c1cccc(CNC(=O)c2c(C)oc3ccc(OC)cc23)c1.
What is the InChIKey of 5-methoxy-2-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]-1-benzofuran-3-carboxamide?
The InChIKey is XYDPPHVNCKXXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5S/c1-12-18(16-10-14(25-3)7-8-17(16)26-12)19(22)21-11-13-5-4-6-15(9-13)27(23,24)20-2/h4-10,20H,11H2,1-3H3,(H,21,22).
What are the key properties of 5-methoxy-2-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]-1-benzofuran-3-carboxamide?
5-methoxy-2-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]-1-benzofuran-3-carboxamide has a molecular weight of 388.45 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 87017070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).