7-ethoxy-N-(4-methylsulfanylphenyl)-1-benzofuran-2-carboxamide

C18H17NO3S — CID 40946707

IUPAC7-ethoxy-N-(4-methylsulfanylphenyl)-1-benzofuran-2-carboxamide
SMILESCCOc1cccc2cc(C(=O)Nc3ccc(SC)cc3)oc12
InChIInChI=1S/C18H17NO3S/c1-3-21-15-6-4-5-12-11-16(22-17(12)15)18(20)19-13-7-9-14(23-2)10-8-13/h4-11H,3H2,1-2H3,(H,19,20)
InChIKeyNGHXHETZARGEPL-UHFFFAOYSA-N
MW327.41 g/mol
LogP4.81
Rot. Bonds5

About 7-ethoxy-N-(4-methylsulfanylphenyl)-1-benzofuran-2-carboxamide

7-ethoxy-N-(4-methylsulfanylphenyl)-1-benzofuran-2-carboxamide (PubChem CID 40946707) has the molecular formula C18H17NO3S and a molecular weight of 327.41 g/mol. Its IUPAC name is 7-ethoxy-N-(4-methylsulfanylphenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-ethoxy-N-(4-methylsulfanylphenyl)-1-benzofuran-2-carboxamide
PubChem CID40946707
Molecular FormulaC18H17NO3S
Molecular Weight327.41 g/mol
Exact Mass327.09
IUPAC Name7-ethoxy-N-(4-methylsulfanylphenyl)-1-benzofuran-2-carboxamide
SMILESCCOc1cccc2cc(C(=O)Nc3ccc(SC)cc3)oc12
InChIInChI=1S/C18H17NO3S/c1-3-21-15-6-4-5-12-11-16(22-17(12)15)18(20)19-13-7-9-14(23-2)10-8-13/h4-11H,3H2,1-2H3,(H,19,20)
InChIKeyNGHXHETZARGEPL-UHFFFAOYSA-N
XLogP4.81
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-ethoxy-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide
CID 43974153
7-ethoxy-N-naphthalen-1-yl-1-benzofuran-2-carboxamide
CID 40888860
N-[4-(1,3-benzoxazol-2-yl)phenyl]-7-ethoxy-1-benzofuran-2-carboxamide
CID 40888792
N-(2,3-dimethylphenyl)-7-ethoxy-1-benzofuran-2-carboxamide
CID 40888863
N-[4-(1H-benzimidazol-2-yl)phenyl]-7-ethoxy-1-benzofuran-2-carboxamide
CID 40888779
7-methoxy-N-[4-(phenylsulfanylmethyl)phenyl]-1-benzofuran-2-carboxamide
CID 92643170
8-ethoxy-2-oxo-N-phenylchromene-3-carboxamide
CID 4523886
7-ethoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 40888778
N-[3-(1H-benzimidazol-2-yl)phenyl]-7-ethoxy-1-benzofuran-2-carboxamide
CID 40888796
7-methoxy-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide
CID 43973948
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-7-ethoxy-1-benzofuran-2-carboxamide
CID 43976295
7-methoxy-N-(4-sulfamoylphenyl)-1-benzofuran-2-carboxamide
CID 40888598

Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-N-(4-methylsulfanylphenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 7-ethoxy-N-(4-methylsulfanylphenyl)-1-benzofuran-2-carboxamide (CID 40946707) is 7-ethoxy-N-(4-methylsulfanylphenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-ethoxy-N-(4-methylsulfanylphenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-ethoxy-N-(4-methylsulfanylphenyl)-1-benzofuran-2-carboxamide is CCOc1cccc2cc(C(=O)Nc3ccc(SC)cc3)oc12.
What is the InChIKey of 7-ethoxy-N-(4-methylsulfanylphenyl)-1-benzofuran-2-carboxamide?
The InChIKey is NGHXHETZARGEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3S/c1-3-21-15-6-4-5-12-11-16(22-17(12)15)18(20)19-13-7-9-14(23-2)10-8-13/h4-11H,3H2,1-2H3,(H,19,20).
What are the key properties of 7-ethoxy-N-(4-methylsulfanylphenyl)-1-benzofuran-2-carboxamide?
7-ethoxy-N-(4-methylsulfanylphenyl)-1-benzofuran-2-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-N-(4-methylsulfanylphenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 40946707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).