N-(2-methoxydibenzofuran-3-yl)-3-(4-methylphenyl)thiophene-2-carboxamide

C25H19NO3S — CID 7668783

IUPACN-(2-methoxydibenzofuran-3-yl)-3-(4-methylphenyl)thiophene-2-carboxamide
SMILESCOc1cc2c(cc1NC(=O)c1sccc1-c1ccc(C)cc1)oc1ccccc12
InChIInChI=1S/C25H19NO3S/c1-15-7-9-16(10-8-15)17-11-12-30-24(17)25(27)26-20-14-22-19(13-23(20)28-2)18-5-3-4-6-21(18)29-22/h3-14H,1-2H3,(H,26,27)
InChIKeyXFKOEMDCXAIRGR-UHFFFAOYSA-N
MW413.50 g/mol
LogP6.88
Rot. Bonds4

About N-(2-methoxydibenzofuran-3-yl)-3-(4-methylphenyl)thiophene-2-carboxamide

N-(2-methoxydibenzofuran-3-yl)-3-(4-methylphenyl)thiophene-2-carboxamide (PubChem CID 7668783) has the molecular formula C25H19NO3S and a molecular weight of 413.50 g/mol. Its IUPAC name is N-(2-methoxydibenzofuran-3-yl)-3-(4-methylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxydibenzofuran-3-yl)-3-(4-methylphenyl)thiophene-2-carboxamide
PubChem CID7668783
Molecular FormulaC25H19NO3S
Molecular Weight413.50 g/mol
Exact Mass413.11
IUPAC NameN-(2-methoxydibenzofuran-3-yl)-3-(4-methylphenyl)thiophene-2-carboxamide
SMILESCOc1cc2c(cc1NC(=O)c1sccc1-c1ccc(C)cc1)oc1ccccc12
InChIInChI=1S/C25H19NO3S/c1-15-7-9-16(10-8-15)17-11-12-30-24(17)25(27)26-20-14-22-19(13-23(20)28-2)18-5-3-4-6-21(18)29-22/h3-14H,1-2H3,(H,26,27)
InChIKeyXFKOEMDCXAIRGR-UHFFFAOYSA-N
XLogP6.88
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.50
LogP ≤ 56.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxydibenzofuran-3-yl)-5-methylthiophene-3-carboxamide
CID 2971310
3-chloro-N-(2-methoxydibenzofuran-3-yl)-1-benzothiophene-2-carboxamide
CID 3922547
2,4-dimethoxy-N-(2-methoxydibenzofuran-3-yl)benzamide
CID 2884928
N-(5-acetamido-2-methoxyphenyl)-3-(4-methylphenyl)thiophene-2-carboxamide
CID 16563086
N-(2-methoxydibenzofuran-3-yl)-1-methyl-6-oxopyridine-2-carboxamide
CID 75390313
(1S)-2,2-dichloro-N-(2-methoxydibenzofuran-3-yl)-1-methylcyclopropane-1-carboxamide
CID 2225841
N-(2-methoxydibenzofuran-3-yl)-3-methyl-4-nitrobenzamide
CID 2912279
(2R)-N-(2-methoxydibenzofuran-3-yl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide
CID 9434107
(2S)-N-(2-methoxydibenzofuran-3-yl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide
CID 9434105
N-(2-methoxydibenzofuran-3-yl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 3679313
1-ethyl-3-(2-methoxydibenzofuran-3-yl)urea
CID 86976519
2-(2,5-dimethylphenoxy)-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 2911367

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxydibenzofuran-3-yl)-3-(4-methylphenyl)thiophene-2-carboxamide?
The IUPAC name of N-(2-methoxydibenzofuran-3-yl)-3-(4-methylphenyl)thiophene-2-carboxamide (CID 7668783) is N-(2-methoxydibenzofuran-3-yl)-3-(4-methylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-methoxydibenzofuran-3-yl)-3-(4-methylphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-methoxydibenzofuran-3-yl)-3-(4-methylphenyl)thiophene-2-carboxamide is COc1cc2c(cc1NC(=O)c1sccc1-c1ccc(C)cc1)oc1ccccc12.
What is the InChIKey of N-(2-methoxydibenzofuran-3-yl)-3-(4-methylphenyl)thiophene-2-carboxamide?
The InChIKey is XFKOEMDCXAIRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19NO3S/c1-15-7-9-16(10-8-15)17-11-12-30-24(17)25(27)26-20-14-22-19(13-23(20)28-2)18-5-3-4-6-21(18)29-22/h3-14H,1-2H3,(H,26,27).
What are the key properties of N-(2-methoxydibenzofuran-3-yl)-3-(4-methylphenyl)thiophene-2-carboxamide?
N-(2-methoxydibenzofuran-3-yl)-3-(4-methylphenyl)thiophene-2-carboxamide has a molecular weight of 413.50 g/mol, XLogP of 6.88, 4 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-(4-methylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 7668783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).