5-methoxy-2-(phenylsulfanylmethyl)-1-benzofuran-3-carboxamide

C17H15NO3S — CID 13415652

IUPAC5-methoxy-2-(phenylsulfanylmethyl)-1-benzofuran-3-carboxamide
SMILESCOc1ccc2oc(CSc3ccccc3)c(C(N)=O)c2c1
InChIInChI=1S/C17H15NO3S/c1-20-11-7-8-14-13(9-11)16(17(18)19)15(21-14)10-22-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H2,18,19)
InChIKeyQJHOKTACQLJPJN-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.83
Rot. Bonds5

About 5-methoxy-2-(phenylsulfanylmethyl)-1-benzofuran-3-carboxamide

5-methoxy-2-(phenylsulfanylmethyl)-1-benzofuran-3-carboxamide (PubChem CID 13415652) has the molecular formula C17H15NO3S and a molecular weight of 313.38 g/mol. Its IUPAC name is 5-methoxy-2-(phenylsulfanylmethyl)-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name5-methoxy-2-(phenylsulfanylmethyl)-1-benzofuran-3-carboxamide
PubChem CID13415652
Molecular FormulaC17H15NO3S
Molecular Weight313.38 g/mol
Exact Mass313.08
IUPAC Name5-methoxy-2-(phenylsulfanylmethyl)-1-benzofuran-3-carboxamide
SMILESCOc1ccc2oc(CSc3ccccc3)c(C(N)=O)c2c1
InChIInChI=1S/C17H15NO3S/c1-20-11-7-8-14-13(9-11)16(17(18)19)15(21-14)10-22-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H2,18,19)
InChIKeyQJHOKTACQLJPJN-UHFFFAOYSA-N
XLogP3.83
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-acetyloxy-2-(phenylsulfanylmethyl)-1-benzofuran-3-carboxylate
CID 23734294
2-(8-methoxydibenzofuran-2-yl)sulfanylacetamide
CID 11536559
5-methoxy-2-(2-methylpropyl)-1-benzofuran-3-carboxylic acid
CID 131696400
(5-methoxy-2-methyl-1-benzofuran-3-yl)-phenylmethanone
CID 900013
N-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 94029246
[2-(3-ethoxy-3-hydroxypropyl)-5-methoxy-1-benzofuran-3-yl]-phenylmethanone
CID 123964397
carbamoyl 2-(2-fluorophenyl)-5-methoxy-1-benzofuran-3-carboxylate
CID 91364556
(7-methoxy-2-oxochromen-4-yl)methyl 2-phenylsulfanylacetate
CID 4544422
ethyl 2-[(carbamothioylamino)methyl]-5-methoxy-1-benzofuran-3-carboxylate;hydrobromide
CID 131882913
N-(3-hydroxy-3-phenylpropyl)-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 111471937
(2-amino-2-oxo-1-phenylethyl) 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
CID 47017295
N-(2-amino-2-oxo-1-phenylethyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 47017553

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(phenylsulfanylmethyl)-1-benzofuran-3-carboxamide?
The IUPAC name of 5-methoxy-2-(phenylsulfanylmethyl)-1-benzofuran-3-carboxamide (CID 13415652) is 5-methoxy-2-(phenylsulfanylmethyl)-1-benzofuran-3-carboxamide.
What is the SMILES notation for 5-methoxy-2-(phenylsulfanylmethyl)-1-benzofuran-3-carboxamide?
The canonical SMILES for 5-methoxy-2-(phenylsulfanylmethyl)-1-benzofuran-3-carboxamide is COc1ccc2oc(CSc3ccccc3)c(C(N)=O)c2c1.
What is the InChIKey of 5-methoxy-2-(phenylsulfanylmethyl)-1-benzofuran-3-carboxamide?
The InChIKey is QJHOKTACQLJPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3S/c1-20-11-7-8-14-13(9-11)16(17(18)19)15(21-14)10-22-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H2,18,19).
What are the key properties of 5-methoxy-2-(phenylsulfanylmethyl)-1-benzofuran-3-carboxamide?
5-methoxy-2-(phenylsulfanylmethyl)-1-benzofuran-3-carboxamide has a molecular weight of 313.38 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(phenylsulfanylmethyl)-1-benzofuran-3-carboxamide is sourced from PubChem (CID 13415652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).