7-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]-1-benzofuran-2-carboxamide

C19H19NO5S — CID 133165504

IUPAC7-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)NC(C)c3ccc(S(C)(=O)=O)cc3)oc12
InChIInChI=1S/C19H19NO5S/c1-12(13-7-9-15(10-8-13)26(3,22)23)20-19(21)17-11-14-5-4-6-16(24-2)18(14)25-17/h4-12H,1-3H3,(H,20,21)
InChIKeyCFDZTCIHYVSJIC-UHFFFAOYSA-N
MW373.43 g/mol
LogP3.34
Rot. Bonds5

About 7-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]-1-benzofuran-2-carboxamide

7-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]-1-benzofuran-2-carboxamide (PubChem CID 133165504) has the molecular formula C19H19NO5S and a molecular weight of 373.43 g/mol. Its IUPAC name is 7-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]-1-benzofuran-2-carboxamide
PubChem CID133165504
Molecular FormulaC19H19NO5S
Molecular Weight373.43 g/mol
Exact Mass373.10
IUPAC Name7-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)NC(C)c3ccc(S(C)(=O)=O)cc3)oc12
InChIInChI=1S/C19H19NO5S/c1-12(13-7-9-15(10-8-13)26(3,22)23)20-19(21)17-11-14-5-4-6-16(24-2)18(14)25-17/h4-12H,1-3H3,(H,20,21)
InChIKeyCFDZTCIHYVSJIC-UHFFFAOYSA-N
XLogP3.34
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-methoxy-N-[1-(4-methylphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 53281692
N-[1-(4-ethylphenyl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 133178584
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 94012379
7-methoxy-N-[(1R)-1-(4-nitrophenyl)ethyl]-1-benzofuran-2-carboxamide
CID 11588130
7-methoxy-N-[1-[4-(2-methoxyethylsulfanyl)phenyl]ethyl]-1-benzofuran-2-carboxamide
CID 86889000
N-[(1S)-1-(4-methoxyphenyl)ethyl]-7-methyl-1-benzofuran-2-carboxamide
CID 100795374
7-methoxy-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]-1-benzofuran-2-carboxamide
CID 132659671
7-methoxy-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]-1-benzofuran-2-carboxamide
CID 125042405
7-methoxy-N-methyl-1-benzofuran-2-carboxamide
CID 53281820
7-methoxy-N-(4-sulfamoylphenyl)-1-benzofuran-2-carboxamide
CID 40888598
2-(2-methoxyphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 18096228
3-methoxy-4-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 26958285

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 7-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]-1-benzofuran-2-carboxamide (CID 133165504) is 7-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]-1-benzofuran-2-carboxamide is COc1cccc2cc(C(=O)NC(C)c3ccc(S(C)(=O)=O)cc3)oc12.
What is the InChIKey of 7-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]-1-benzofuran-2-carboxamide?
The InChIKey is CFDZTCIHYVSJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5S/c1-12(13-7-9-15(10-8-13)26(3,22)23)20-19(21)17-11-14-5-4-6-16(24-2)18(14)25-17/h4-12H,1-3H3,(H,20,21).
What are the key properties of 7-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]-1-benzofuran-2-carboxamide?
7-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]-1-benzofuran-2-carboxamide has a molecular weight of 373.43 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 133165504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).