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

C23H19NO3S — CID 92643170

IUPAC7-methoxy-N-[4-(phenylsulfanylmethyl)phenyl]-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3ccc(CSc4ccccc4)cc3)oc12
InChIInChI=1S/C23H19NO3S/c1-26-20-9-5-6-17-14-21(27-22(17)20)23(25)24-18-12-10-16(11-13-18)15-28-19-7-3-2-4-8-19/h2-14H,15H2,1H3,(H,24,25)
InChIKeyFKQCMORJSGKAQI-UHFFFAOYSA-N
MW389.48 g/mol
LogP5.99
Rot. Bonds6

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

7-methoxy-N-[4-(phenylsulfanylmethyl)phenyl]-1-benzofuran-2-carboxamide (PubChem CID 92643170) has the molecular formula C23H19NO3S and a molecular weight of 389.48 g/mol. Its IUPAC name is 7-methoxy-N-[4-(phenylsulfanylmethyl)phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-[4-(phenylsulfanylmethyl)phenyl]-1-benzofuran-2-carboxamide
PubChem CID92643170
Molecular FormulaC23H19NO3S
Molecular Weight389.48 g/mol
Exact Mass389.11
IUPAC Name7-methoxy-N-[4-(phenylsulfanylmethyl)phenyl]-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3ccc(CSc4ccccc4)cc3)oc12
InChIInChI=1S/C23H19NO3S/c1-26-20-9-5-6-17-14-21(27-22(17)20)23(25)24-18-12-10-16(11-13-18)15-28-19-7-3-2-4-8-19/h2-14H,15H2,1H3,(H,24,25)
InChIKeyFKQCMORJSGKAQI-UHFFFAOYSA-N
XLogP5.99
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.48
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-methoxy-N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide
CID 40946613
7-methoxy-N-(4-sulfamoylphenyl)-1-benzofuran-2-carboxamide
CID 40888598
3-[(7-methoxy-1-benzofuran-2-carbonyl)amino]benzoic acid
CID 124688750
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 78900619
7-ethoxy-N-(4-methylsulfanylphenyl)-1-benzofuran-2-carboxamide
CID 40946707
7-methoxy-N-methyl-1-benzofuran-2-carboxamide
CID 53281820
7-methoxy-N-(2-propan-2-yloxyphenyl)-1-benzofuran-2-carboxamide
CID 53281729
7-methoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1-benzofuran-2-carboxamide
CID 38011887
N-[1-(4-ethylphenyl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 133178584
7-methoxy-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]-1-benzofuran-2-carboxamide
CID 86963547
7-methoxy-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide
CID 100530050
N-[(2S)-3-hydroxy-1-(4-methoxyanilino)-1-oxopropan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide
CID 6722862

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[4-(phenylsulfanylmethyl)phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 7-methoxy-N-[4-(phenylsulfanylmethyl)phenyl]-1-benzofuran-2-carboxamide (CID 92643170) is 7-methoxy-N-[4-(phenylsulfanylmethyl)phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-methoxy-N-[4-(phenylsulfanylmethyl)phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-methoxy-N-[4-(phenylsulfanylmethyl)phenyl]-1-benzofuran-2-carboxamide is COc1cccc2cc(C(=O)Nc3ccc(CSc4ccccc4)cc3)oc12.
What is the InChIKey of 7-methoxy-N-[4-(phenylsulfanylmethyl)phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is FKQCMORJSGKAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO3S/c1-26-20-9-5-6-17-14-21(27-22(17)20)23(25)24-18-12-10-16(11-13-18)15-28-19-7-3-2-4-8-19/h2-14H,15H2,1H3,(H,24,25).
What are the key properties of 7-methoxy-N-[4-(phenylsulfanylmethyl)phenyl]-1-benzofuran-2-carboxamide?
7-methoxy-N-[4-(phenylsulfanylmethyl)phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 389.48 g/mol, XLogP of 5.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-[4-(phenylsulfanylmethyl)phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 92643170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).