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

C21H23NO4S — CID 86889000

IUPAC7-methoxy-N-[1-[4-(2-methoxyethylsulfanyl)phenyl]ethyl]-1-benzofuran-2-carboxamide
SMILESCOCCSc1ccc(C(C)NC(=O)c2cc3cccc(OC)c3o2)cc1
InChIInChI=1S/C21H23NO4S/c1-14(15-7-9-17(10-8-15)27-12-11-24-2)22-21(23)19-13-16-5-4-6-18(25-3)20(16)26-19/h4-10,13-14H,11-12H2,1-3H3,(H,22,23)
InChIKeyWOSINBHDJPSDLK-UHFFFAOYSA-N
MW385.49 g/mol
LogP4.67
Rot. Bonds8

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

7-methoxy-N-[1-[4-(2-methoxyethylsulfanyl)phenyl]ethyl]-1-benzofuran-2-carboxamide (PubChem CID 86889000) has the molecular formula C21H23NO4S and a molecular weight of 385.49 g/mol. Its IUPAC name is 7-methoxy-N-[1-[4-(2-methoxyethylsulfanyl)phenyl]ethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-[1-[4-(2-methoxyethylsulfanyl)phenyl]ethyl]-1-benzofuran-2-carboxamide
PubChem CID86889000
Molecular FormulaC21H23NO4S
Molecular Weight385.49 g/mol
Exact Mass385.13
IUPAC Name7-methoxy-N-[1-[4-(2-methoxyethylsulfanyl)phenyl]ethyl]-1-benzofuran-2-carboxamide
SMILESCOCCSc1ccc(C(C)NC(=O)c2cc3cccc(OC)c3o2)cc1
InChIInChI=1S/C21H23NO4S/c1-14(15-7-9-17(10-8-15)27-12-11-24-2)22-21(23)19-13-16-5-4-6-18(25-3)20(16)26-19/h4-10,13-14H,11-12H2,1-3H3,(H,22,23)
InChIKeyWOSINBHDJPSDLK-UHFFFAOYSA-N
XLogP4.67
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-ethylphenyl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 133178584
7-methoxy-N-[1-(4-methylphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 53281692
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 94012379
7-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 133165504
7-methoxy-N-[(1R)-1-(4-nitrophenyl)ethyl]-1-benzofuran-2-carboxamide
CID 11588130
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-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide
CID 40946613
7-methoxy-N-[4-(phenylsulfanylmethyl)phenyl]-1-benzofuran-2-carboxamide
CID 92643170
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 90613369

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[1-[4-(2-methoxyethylsulfanyl)phenyl]ethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 7-methoxy-N-[1-[4-(2-methoxyethylsulfanyl)phenyl]ethyl]-1-benzofuran-2-carboxamide (CID 86889000) is 7-methoxy-N-[1-[4-(2-methoxyethylsulfanyl)phenyl]ethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-methoxy-N-[1-[4-(2-methoxyethylsulfanyl)phenyl]ethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-methoxy-N-[1-[4-(2-methoxyethylsulfanyl)phenyl]ethyl]-1-benzofuran-2-carboxamide is COCCSc1ccc(C(C)NC(=O)c2cc3cccc(OC)c3o2)cc1.
What is the InChIKey of 7-methoxy-N-[1-[4-(2-methoxyethylsulfanyl)phenyl]ethyl]-1-benzofuran-2-carboxamide?
The InChIKey is WOSINBHDJPSDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4S/c1-14(15-7-9-17(10-8-15)27-12-11-24-2)22-21(23)19-13-16-5-4-6-18(25-3)20(16)26-19/h4-10,13-14H,11-12H2,1-3H3,(H,22,23).
What are the key properties of 7-methoxy-N-[1-[4-(2-methoxyethylsulfanyl)phenyl]ethyl]-1-benzofuran-2-carboxamide?
7-methoxy-N-[1-[4-(2-methoxyethylsulfanyl)phenyl]ethyl]-1-benzofuran-2-carboxamide has a molecular weight of 385.49 g/mol, XLogP of 4.67, 8 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-(2-methoxyethylsulfanyl)phenyl]ethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 86889000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).