N-(2-methoxydibenzofuran-3-yl)-3-(methylsulfanylmethyl)benzamide

C22H19NO3S — CID 8777447

IUPACN-(2-methoxydibenzofuran-3-yl)-3-(methylsulfanylmethyl)benzamide
SMILESCOc1cc2c(cc1NC(=O)c1cccc(CSC)c1)oc1ccccc12
InChIInChI=1S/C22H19NO3S/c1-25-21-11-17-16-8-3-4-9-19(16)26-20(17)12-18(21)23-22(24)15-7-5-6-14(10-15)13-27-2/h3-12H,13H2,1-2H3,(H,23,24)
InChIKeyDQUYLMOWDDROBK-UHFFFAOYSA-N
MW377.47 g/mol
LogP5.71
Rot. Bonds5

About N-(2-methoxydibenzofuran-3-yl)-3-(methylsulfanylmethyl)benzamide

N-(2-methoxydibenzofuran-3-yl)-3-(methylsulfanylmethyl)benzamide (PubChem CID 8777447) has the molecular formula C22H19NO3S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-(2-methoxydibenzofuran-3-yl)-3-(methylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-(2-methoxydibenzofuran-3-yl)-3-(methylsulfanylmethyl)benzamide
PubChem CID8777447
Molecular FormulaC22H19NO3S
Molecular Weight377.47 g/mol
Exact Mass377.11
IUPAC NameN-(2-methoxydibenzofuran-3-yl)-3-(methylsulfanylmethyl)benzamide
SMILESCOc1cc2c(cc1NC(=O)c1cccc(CSC)c1)oc1ccccc12
InChIInChI=1S/C22H19NO3S/c1-25-21-11-17-16-8-3-4-9-19(16)26-20(17)12-18(21)23-22(24)15-7-5-6-14(10-15)13-27-2/h3-12H,13H2,1-2H3,(H,23,24)
InChIKeyDQUYLMOWDDROBK-UHFFFAOYSA-N
XLogP5.71
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.47
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyphenyl)-3-(methylsulfanylmethyl)benzamide
CID 29371206
N-(4-chloro-2,5-dimethoxyphenyl)-3-(methylsulfanylmethyl)benzamide
CID 9162789
N-(2-methoxydibenzofuran-3-yl)-3-(propylsulfonylamino)benzamide
CID 37331079
N-(2-methoxydibenzofuran-3-yl)-4-(phenoxymethyl)benzamide
CID 2097134
N-(2-methoxydibenzofuran-3-yl)-5-methylthiophene-3-carboxamide
CID 2971310
3-(dimethylsulfamoyl)-4-methoxy-N-(2-methoxydibenzofuran-3-yl)benzamide
CID 26413572
N-(2-methoxydibenzofuran-3-yl)-3-methyl-4-nitrobenzamide
CID 2912279
1-ethyl-3-(2-methoxydibenzofuran-3-yl)urea
CID 86976519
2,4-dimethoxy-N-(2-methoxydibenzofuran-3-yl)benzamide
CID 2884928
1-ethyl-N-(2-methoxydibenzofuran-3-yl)benzotriazole-5-carboxamide
CID 4824043
N-(2-methoxydibenzofuran-3-yl)-1-methyl-6-oxopyridine-2-carboxamide
CID 75390313
4-(difluoromethylsulfonyl)-N-(2-methoxydibenzofuran-3-yl)benzamide
CID 4876013

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxydibenzofuran-3-yl)-3-(methylsulfanylmethyl)benzamide?
The IUPAC name of N-(2-methoxydibenzofuran-3-yl)-3-(methylsulfanylmethyl)benzamide (CID 8777447) is N-(2-methoxydibenzofuran-3-yl)-3-(methylsulfanylmethyl)benzamide.
What is the SMILES notation for N-(2-methoxydibenzofuran-3-yl)-3-(methylsulfanylmethyl)benzamide?
The canonical SMILES for N-(2-methoxydibenzofuran-3-yl)-3-(methylsulfanylmethyl)benzamide is COc1cc2c(cc1NC(=O)c1cccc(CSC)c1)oc1ccccc12.
What is the InChIKey of N-(2-methoxydibenzofuran-3-yl)-3-(methylsulfanylmethyl)benzamide?
The InChIKey is DQUYLMOWDDROBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO3S/c1-25-21-11-17-16-8-3-4-9-19(16)26-20(17)12-18(21)23-22(24)15-7-5-6-14(10-15)13-27-2/h3-12H,13H2,1-2H3,(H,23,24).
What are the key properties of N-(2-methoxydibenzofuran-3-yl)-3-(methylsulfanylmethyl)benzamide?
N-(2-methoxydibenzofuran-3-yl)-3-(methylsulfanylmethyl)benzamide has a molecular weight of 377.47 g/mol, XLogP of 5.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxydibenzofuran-3-yl)-3-(methylsulfanylmethyl)benzamide is sourced from PubChem (CID 8777447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).