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

C23H22N2O5S — CID 37331079

IUPACN-(2-methoxydibenzofuran-3-yl)-3-(propylsulfonylamino)benzamide
SMILESCCCS(=O)(=O)Nc1cccc(C(=O)Nc2cc3oc4ccccc4c3cc2OC)c1
InChIInChI=1S/C23H22N2O5S/c1-3-11-31(27,28)25-16-8-6-7-15(12-16)23(26)24-19-14-21-18(13-22(19)29-2)17-9-4-5-10-20(17)30-21/h4-10,12-14,25H,3,11H2,1-2H3,(H,24,26)
InChIKeyMFFJSZSLGNQJFD-UHFFFAOYSA-N
MW438.51 g/mol
LogP5.00
Rot. Bonds7

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

N-(2-methoxydibenzofuran-3-yl)-3-(propylsulfonylamino)benzamide (PubChem CID 37331079) has the molecular formula C23H22N2O5S and a molecular weight of 438.51 g/mol. Its IUPAC name is N-(2-methoxydibenzofuran-3-yl)-3-(propylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-(2-methoxydibenzofuran-3-yl)-3-(propylsulfonylamino)benzamide
PubChem CID37331079
Molecular FormulaC23H22N2O5S
Molecular Weight438.51 g/mol
Exact Mass438.12
IUPAC NameN-(2-methoxydibenzofuran-3-yl)-3-(propylsulfonylamino)benzamide
SMILESCCCS(=O)(=O)Nc1cccc(C(=O)Nc2cc3oc4ccccc4c3cc2OC)c1
InChIInChI=1S/C23H22N2O5S/c1-3-11-31(27,28)25-16-8-6-7-15(12-16)23(26)24-19-14-21-18(13-22(19)29-2)17-9-4-5-10-20(17)30-21/h4-10,12-14,25H,3,11H2,1-2H3,(H,24,26)
InChIKeyMFFJSZSLGNQJFD-UHFFFAOYSA-N
XLogP5.00
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxydibenzofuran-3-yl)-3-(methylsulfanylmethyl)benzamide
CID 8777447
3-(dimethylsulfamoyl)-4-methoxy-N-(2-methoxydibenzofuran-3-yl)benzamide
CID 26413572
N-(2-methoxydibenzofuran-3-yl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 3679313
4-(difluoromethylsulfonyl)-N-(2-methoxydibenzofuran-3-yl)benzamide
CID 4876013
N-(2-methoxydibenzofuran-3-yl)-5-methylthiophene-3-carboxamide
CID 2971310
N-(2-methoxydibenzofuran-3-yl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 26667364
1-ethyl-3-(2-methoxydibenzofuran-3-yl)urea
CID 86976519
1-ethyl-N-(2-methoxydibenzofuran-3-yl)benzotriazole-5-carboxamide
CID 4824043
N-(2-methoxydibenzofuran-3-yl)-4-(phenoxymethyl)benzamide
CID 2097134
N-(2-methoxydibenzofuran-3-yl)-3-methyl-4-nitrobenzamide
CID 2912279
3-(ethoxymethyl)-N-(2-methoxydibenzofuran-3-yl)-1-benzofuran-2-carboxamide
CID 9098193
2,4-dimethoxy-N-(2-methoxydibenzofuran-3-yl)benzamide
CID 2884928

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxydibenzofuran-3-yl)-3-(propylsulfonylamino)benzamide?
The IUPAC name of N-(2-methoxydibenzofuran-3-yl)-3-(propylsulfonylamino)benzamide (CID 37331079) is N-(2-methoxydibenzofuran-3-yl)-3-(propylsulfonylamino)benzamide.
What is the SMILES notation for N-(2-methoxydibenzofuran-3-yl)-3-(propylsulfonylamino)benzamide?
The canonical SMILES for N-(2-methoxydibenzofuran-3-yl)-3-(propylsulfonylamino)benzamide is CCCS(=O)(=O)Nc1cccc(C(=O)Nc2cc3oc4ccccc4c3cc2OC)c1.
What is the InChIKey of N-(2-methoxydibenzofuran-3-yl)-3-(propylsulfonylamino)benzamide?
The InChIKey is MFFJSZSLGNQJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O5S/c1-3-11-31(27,28)25-16-8-6-7-15(12-16)23(26)24-19-14-21-18(13-22(19)29-2)17-9-4-5-10-20(17)30-21/h4-10,12-14,25H,3,11H2,1-2H3,(H,24,26).
What are the key properties of N-(2-methoxydibenzofuran-3-yl)-3-(propylsulfonylamino)benzamide?
N-(2-methoxydibenzofuran-3-yl)-3-(propylsulfonylamino)benzamide has a molecular weight of 438.51 g/mol, XLogP of 5.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxydibenzofuran-3-yl)-3-(propylsulfonylamino)benzamide is sourced from PubChem (CID 37331079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).