5-methoxy-3-methyl-N-[1-(3-sulfamoylphenyl)ethyl]-1-benzofuran-2-carboxamide

C19H20N2O5S — CID 51213515

IUPAC5-methoxy-3-methyl-N-[1-(3-sulfamoylphenyl)ethyl]-1-benzofuran-2-carboxamide
SMILESCOc1ccc2oc(C(=O)NC(C)c3cccc(S(N)(=O)=O)c3)c(C)c2c1
InChIInChI=1S/C19H20N2O5S/c1-11-16-10-14(25-3)7-8-17(16)26-18(11)19(22)21-12(2)13-5-4-6-15(9-13)27(20,23)24/h4-10,12H,1-3H3,(H,21,22)(H2,20,23,24)
InChIKeyALQGEEZIASKPNJ-UHFFFAOYSA-N
MW388.45 g/mol
LogP2.89
Rot. Bonds5

About 5-methoxy-3-methyl-N-[1-(3-sulfamoylphenyl)ethyl]-1-benzofuran-2-carboxamide

5-methoxy-3-methyl-N-[1-(3-sulfamoylphenyl)ethyl]-1-benzofuran-2-carboxamide (PubChem CID 51213515) has the molecular formula C19H20N2O5S and a molecular weight of 388.45 g/mol. Its IUPAC name is 5-methoxy-3-methyl-N-[1-(3-sulfamoylphenyl)ethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-3-methyl-N-[1-(3-sulfamoylphenyl)ethyl]-1-benzofuran-2-carboxamide
PubChem CID51213515
Molecular FormulaC19H20N2O5S
Molecular Weight388.45 g/mol
Exact Mass388.11
IUPAC Name5-methoxy-3-methyl-N-[1-(3-sulfamoylphenyl)ethyl]-1-benzofuran-2-carboxamide
SMILESCOc1ccc2oc(C(=O)NC(C)c3cccc(S(N)(=O)=O)c3)c(C)c2c1
InChIInChI=1S/C19H20N2O5S/c1-11-16-10-14(25-3)7-8-17(16)26-18(11)19(22)21-12(2)13-5-4-6-15(9-13)27(20,23)24/h4-10,12H,1-3H3,(H,21,22)(H2,20,23,24)
InChIKeyALQGEEZIASKPNJ-UHFFFAOYSA-N
XLogP2.89
TPSA111.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-(3-chlorophenyl)ethyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 8700752
N-(2-amino-2-oxo-1-phenylethyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 47017553
N-[(1R)-1-(furan-2-yl)ethyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 8856762
2,5-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]furan-3-carboxamide
CID 78814202
diethyl 2-[(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)amino]propanedioate
CID 55466367
N-[1-(3-sulfamoylphenyl)ethyl]benzo[e][1]benzofuran-2-carboxamide
CID 167857934
(2S)-2-(6-methoxynaphthalen-2-yl)-N-[1-(3-sulfamoylphenyl)ethyl]propanamide
CID 55937335
2-(3-methoxy-4-methylphenyl)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
CID 17483575
2-(4-methoxyphenyl)-N-[1-(3-sulfamoylphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 55407765
5-methoxy-3-methyl-N-[2-(propan-2-ylcarbamoylamino)phenyl]-1-benzofuran-2-carboxamide
CID 55964822
N-(3-acetamido-2-methylphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 134019144
3-methyl-N-(1-phenylethyl)-1-benzofuran-2-carboxamide
CID 4570219

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-methyl-N-[1-(3-sulfamoylphenyl)ethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-methoxy-3-methyl-N-[1-(3-sulfamoylphenyl)ethyl]-1-benzofuran-2-carboxamide (CID 51213515) is 5-methoxy-3-methyl-N-[1-(3-sulfamoylphenyl)ethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-methoxy-3-methyl-N-[1-(3-sulfamoylphenyl)ethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-methoxy-3-methyl-N-[1-(3-sulfamoylphenyl)ethyl]-1-benzofuran-2-carboxamide is COc1ccc2oc(C(=O)NC(C)c3cccc(S(N)(=O)=O)c3)c(C)c2c1.
What is the InChIKey of 5-methoxy-3-methyl-N-[1-(3-sulfamoylphenyl)ethyl]-1-benzofuran-2-carboxamide?
The InChIKey is ALQGEEZIASKPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5S/c1-11-16-10-14(25-3)7-8-17(16)26-18(11)19(22)21-12(2)13-5-4-6-15(9-13)27(20,23)24/h4-10,12H,1-3H3,(H,21,22)(H2,20,23,24).
What are the key properties of 5-methoxy-3-methyl-N-[1-(3-sulfamoylphenyl)ethyl]-1-benzofuran-2-carboxamide?
5-methoxy-3-methyl-N-[1-(3-sulfamoylphenyl)ethyl]-1-benzofuran-2-carboxamide has a molecular weight of 388.45 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-methyl-N-[1-(3-sulfamoylphenyl)ethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 51213515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).