7-methoxy-N-[3-[methyl(methylsulfonyl)amino]phenyl]-1-benzofuran-2-carboxamide

C18H18N2O5S — CID 28590113

IUPAC7-methoxy-N-[3-[methyl(methylsulfonyl)amino]phenyl]-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3cccc(N(C)S(C)(=O)=O)c3)oc12
InChIInChI=1S/C18H18N2O5S/c1-20(26(3,22)23)14-8-5-7-13(11-14)19-18(21)16-10-12-6-4-9-15(24-2)17(12)25-16/h4-11H,1-3H3,(H,19,21)
InChIKeyYAEMBVWIABUVRW-UHFFFAOYSA-N
MW374.42 g/mol
LogP3.09
Rot. Bonds5

About 7-methoxy-N-[3-[methyl(methylsulfonyl)amino]phenyl]-1-benzofuran-2-carboxamide

7-methoxy-N-[3-[methyl(methylsulfonyl)amino]phenyl]-1-benzofuran-2-carboxamide (PubChem CID 28590113) has the molecular formula C18H18N2O5S and a molecular weight of 374.42 g/mol. Its IUPAC name is 7-methoxy-N-[3-[methyl(methylsulfonyl)amino]phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-[3-[methyl(methylsulfonyl)amino]phenyl]-1-benzofuran-2-carboxamide
PubChem CID28590113
Molecular FormulaC18H18N2O5S
Molecular Weight374.42 g/mol
Exact Mass374.09
IUPAC Name7-methoxy-N-[3-[methyl(methylsulfonyl)amino]phenyl]-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3cccc(N(C)S(C)(=O)=O)c3)oc12
InChIInChI=1S/C18H18N2O5S/c1-20(26(3,22)23)14-8-5-7-13(11-14)19-18(21)16-10-12-6-4-9-15(24-2)17(12)25-16/h4-11H,1-3H3,(H,19,21)
InChIKeyYAEMBVWIABUVRW-UHFFFAOYSA-N
XLogP3.09
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(7-methoxy-1-benzofuran-2-carbonyl)amino]benzoic acid
CID 124688750
7-methoxy-N-(4-sulfamoylphenyl)-1-benzofuran-2-carboxamide
CID 40888598
7-methoxy-N-methyl-1-benzofuran-2-carboxamide
CID 53281820
7-methoxy-N-[3-(piperidin-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide
CID 78867827
4-[methyl(methylsulfonyl)amino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide
CID 1006597
N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 78875769
7-methoxy-N-[4-(pyridin-3-ylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 46763363
7-methoxy-N-(2-propan-2-yloxyphenyl)-1-benzofuran-2-carboxamide
CID 53281729
7-methoxy-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide
CID 100530050
7-methoxy-N-(2-pyrazol-1-ylpyrimidin-5-yl)-1-benzofuran-2-carboxamide
CID 122300248
7-methoxy-N-[4-(phenylsulfanylmethyl)phenyl]-1-benzofuran-2-carboxamide
CID 92643170
N-(3-chloro-2-methylphenyl)-7-methoxy-1-benzofuran-2-carboxamide
CID 78869079

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[3-[methyl(methylsulfonyl)amino]phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 7-methoxy-N-[3-[methyl(methylsulfonyl)amino]phenyl]-1-benzofuran-2-carboxamide (CID 28590113) is 7-methoxy-N-[3-[methyl(methylsulfonyl)amino]phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-methoxy-N-[3-[methyl(methylsulfonyl)amino]phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-methoxy-N-[3-[methyl(methylsulfonyl)amino]phenyl]-1-benzofuran-2-carboxamide is COc1cccc2cc(C(=O)Nc3cccc(N(C)S(C)(=O)=O)c3)oc12.
What is the InChIKey of 7-methoxy-N-[3-[methyl(methylsulfonyl)amino]phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is YAEMBVWIABUVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5S/c1-20(26(3,22)23)14-8-5-7-13(11-14)19-18(21)16-10-12-6-4-9-15(24-2)17(12)25-16/h4-11H,1-3H3,(H,19,21).
What are the key properties of 7-methoxy-N-[3-[methyl(methylsulfonyl)amino]phenyl]-1-benzofuran-2-carboxamide?
7-methoxy-N-[3-[methyl(methylsulfonyl)amino]phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 374.42 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-[3-[methyl(methylsulfonyl)amino]phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 28590113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).