7-methoxy-N-[4-(pyridin-3-ylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide

C21H17N3O5S — CID 46763363

IUPAC7-methoxy-N-[4-(pyridin-3-ylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4cccnc4)cc3)oc12
InChIInChI=1S/C21H17N3O5S/c1-28-18-6-2-4-14-12-19(29-20(14)18)21(25)23-15-7-9-17(10-8-15)30(26,27)24-16-5-3-11-22-13-16/h2-13,24H,1H3,(H,23,25)
InChIKeyLUCVDQVZLPSAEX-UHFFFAOYSA-N
MW423.45 g/mol
LogP3.89
Rot. Bonds6

About 7-methoxy-N-[4-(pyridin-3-ylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide

7-methoxy-N-[4-(pyridin-3-ylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide (PubChem CID 46763363) has the molecular formula C21H17N3O5S and a molecular weight of 423.45 g/mol. Its IUPAC name is 7-methoxy-N-[4-(pyridin-3-ylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-[4-(pyridin-3-ylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide
PubChem CID46763363
Molecular FormulaC21H17N3O5S
Molecular Weight423.45 g/mol
Exact Mass423.09
IUPAC Name7-methoxy-N-[4-(pyridin-3-ylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4cccnc4)cc3)oc12
InChIInChI=1S/C21H17N3O5S/c1-28-18-6-2-4-14-12-19(29-20(14)18)21(25)23-15-7-9-17(10-8-15)30(26,27)24-16-5-3-11-22-13-16/h2-13,24H,1H3,(H,23,25)
InChIKeyLUCVDQVZLPSAEX-UHFFFAOYSA-N
XLogP3.89
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.45
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,6-dimethoxy-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzamide
CID 28578712
7-methoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1-benzofuran-2-carboxamide
CID 38011887
7-methoxy-N-(4-sulfamoylphenyl)-1-benzofuran-2-carboxamide
CID 40888598
2-methoxy-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzamide
CID 92646313
7-methoxy-N-(2-pyrazol-1-ylpyrimidin-5-yl)-1-benzofuran-2-carboxamide
CID 122300248
3-[(7-methoxy-1-benzofuran-2-carbonyl)amino]benzoic acid
CID 124688750
2-methoxy-5-morpholin-4-ylsulfonyl-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzamide
CID 43876086
7-methoxy-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]-1-benzofuran-2-carboxamide
CID 86963547
N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
CID 4263456
3-iodo-4-methoxy-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzenesulfonamide
CID 99940779
N-(4-aminopyrimidin-5-yl)-7-methoxy-1-benzofuran-2-carboxamide
CID 91527109
7-methoxy-N-methyl-1-benzofuran-2-carboxamide
CID 53281820

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[4-(pyridin-3-ylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 7-methoxy-N-[4-(pyridin-3-ylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide (CID 46763363) is 7-methoxy-N-[4-(pyridin-3-ylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-methoxy-N-[4-(pyridin-3-ylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-methoxy-N-[4-(pyridin-3-ylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide is COc1cccc2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4cccnc4)cc3)oc12.
What is the InChIKey of 7-methoxy-N-[4-(pyridin-3-ylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is LUCVDQVZLPSAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O5S/c1-28-18-6-2-4-14-12-19(29-20(14)18)21(25)23-15-7-9-17(10-8-15)30(26,27)24-16-5-3-11-22-13-16/h2-13,24H,1H3,(H,23,25).
What are the key properties of 7-methoxy-N-[4-(pyridin-3-ylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide?
7-methoxy-N-[4-(pyridin-3-ylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 423.45 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-[4-(pyridin-3-ylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 46763363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).