N-[[5-(furan-2-yl)furan-2-yl]methyl]-1-benzothiophene-2-carboxamide

C18H13NO3S — CID 121019189

IUPACN-[[5-(furan-2-yl)furan-2-yl]methyl]-1-benzothiophene-2-carboxamide
SMILESO=C(NCc1ccc(-c2ccco2)o1)c1cc2ccccc2s1
InChIInChI=1S/C18H13NO3S/c20-18(17-10-12-4-1-2-6-16(12)23-17)19-11-13-7-8-15(22-13)14-5-3-9-21-14/h1-10H,11H2,(H,19,20)
InChIKeyHFGAOXMZKOLCTO-UHFFFAOYSA-N
MW323.37 g/mol
LogP4.68
Rot. Bonds4

About N-[[5-(furan-2-yl)furan-2-yl]methyl]-1-benzothiophene-2-carboxamide

N-[[5-(furan-2-yl)furan-2-yl]methyl]-1-benzothiophene-2-carboxamide (PubChem CID 121019189) has the molecular formula C18H13NO3S and a molecular weight of 323.37 g/mol. Its IUPAC name is N-[[5-(furan-2-yl)furan-2-yl]methyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[5-(furan-2-yl)furan-2-yl]methyl]-1-benzothiophene-2-carboxamide
PubChem CID121019189
Molecular FormulaC18H13NO3S
Molecular Weight323.37 g/mol
Exact Mass323.06
IUPAC NameN-[[5-(furan-2-yl)furan-2-yl]methyl]-1-benzothiophene-2-carboxamide
SMILESO=C(NCc1ccc(-c2ccco2)o1)c1cc2ccccc2s1
InChIInChI=1S/C18H13NO3S/c20-18(17-10-12-4-1-2-6-16(12)23-17)19-11-13-7-8-15(22-13)14-5-3-9-21-14/h1-10H,11H2,(H,19,20)
InChIKeyHFGAOXMZKOLCTO-UHFFFAOYSA-N
XLogP4.68
TPSA55.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-thiophen-2-ylfuran-2-yl)methyl]-1-benzothiophene-2-carboxamide
CID 122264352
2-chloro-N-[[5-(furan-2-yl)furan-2-yl]methyl]benzamide
CID 119101854
N-[4-[(1-benzothiophene-2-carbonylamino)methyl]phenyl]furan-2-carboxamide
CID 51327730
N-[[3-(hydroxymethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 63311495
N-[(2,5-dimethylfuran-3-yl)methyl]-1-benzothiophene-2-carboxamide
CID 86950363
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 51195690
1-ethyl-3-[[5-(furan-2-yl)furan-2-yl]methyl]urea
CID 122244089
N-[(4-hydroxyphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 115577883
N-[[3-(chloromethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 114302345
N-[(2-fluorophenyl)methyl]-1-benzothiophene-2-carboxamide
CID 47008465
N-[[2-(methoxymethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 32603799
1-(1-benzothiophen-2-yl)-3-(furan-2-yl)propane-1,3-dione
CID 114910186

Frequently Asked Questions

What is the IUPAC name of N-[[5-(furan-2-yl)furan-2-yl]methyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[[5-(furan-2-yl)furan-2-yl]methyl]-1-benzothiophene-2-carboxamide (CID 121019189) is N-[[5-(furan-2-yl)furan-2-yl]methyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[[5-(furan-2-yl)furan-2-yl]methyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[[5-(furan-2-yl)furan-2-yl]methyl]-1-benzothiophene-2-carboxamide is O=C(NCc1ccc(-c2ccco2)o1)c1cc2ccccc2s1.
What is the InChIKey of N-[[5-(furan-2-yl)furan-2-yl]methyl]-1-benzothiophene-2-carboxamide?
The InChIKey is HFGAOXMZKOLCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO3S/c20-18(17-10-12-4-1-2-6-16(12)23-17)19-11-13-7-8-15(22-13)14-5-3-9-21-14/h1-10H,11H2,(H,19,20).
What are the key properties of N-[[5-(furan-2-yl)furan-2-yl]methyl]-1-benzothiophene-2-carboxamide?
N-[[5-(furan-2-yl)furan-2-yl]methyl]-1-benzothiophene-2-carboxamide has a molecular weight of 323.37 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(furan-2-yl)furan-2-yl]methyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 121019189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).