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

C18H13NO2S2 — CID 122264352

IUPACN-[(5-thiophen-2-ylfuran-2-yl)methyl]-1-benzothiophene-2-carboxamide
SMILESO=C(NCc1ccc(-c2cccs2)o1)c1cc2ccccc2s1
InChIInChI=1S/C18H13NO2S2/c20-18(17-10-12-4-1-2-5-15(12)23-17)19-11-13-7-8-14(21-13)16-6-3-9-22-16/h1-10H,11H2,(H,19,20)
InChIKeyHVVOPWZDIGBOOK-UHFFFAOYSA-N
MW339.44 g/mol
LogP5.15
Rot. Bonds4

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

N-[(5-thiophen-2-ylfuran-2-yl)methyl]-1-benzothiophene-2-carboxamide (PubChem CID 122264352) has the molecular formula C18H13NO2S2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[(5-thiophen-2-ylfuran-2-yl)methyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(5-thiophen-2-ylfuran-2-yl)methyl]-1-benzothiophene-2-carboxamide
PubChem CID122264352
Molecular FormulaC18H13NO2S2
Molecular Weight339.44 g/mol
Exact Mass339.04
IUPAC NameN-[(5-thiophen-2-ylfuran-2-yl)methyl]-1-benzothiophene-2-carboxamide
SMILESO=C(NCc1ccc(-c2cccs2)o1)c1cc2ccccc2s1
InChIInChI=1S/C18H13NO2S2/c20-18(17-10-12-4-1-2-5-15(12)23-17)19-11-13-7-8-14(21-13)16-6-3-9-22-16/h1-10H,11H2,(H,19,20)
InChIKeyHVVOPWZDIGBOOK-UHFFFAOYSA-N
XLogP5.15
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.44
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(furan-2-yl)furan-2-yl]methyl]-1-benzothiophene-2-carboxamide
CID 121019189
2-chloro-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzamide
CID 119101790
2-iodo-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzamide
CID 122264339
2,2-diphenyl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]acetamide
CID 122264322
1-[(5-thiophen-2-ylfuran-2-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 121019157
1-propan-2-yl-3-[(5-thiophen-2-ylfuran-2-yl)methyl]urea
CID 122264543
8-methoxy-2-oxo-N-[(5-thiophen-2-ylfuran-2-yl)methyl]chromene-3-carboxamide
CID 122264327
2-chloro-6-fluoro-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzamide
CID 121019111
N-[(5-thiophen-2-ylfuran-2-yl)methyl]cyclopentanecarboxamide
CID 122264205
N-[(2,5-dimethylfuran-3-yl)methyl]-1-benzothiophene-2-carboxamide
CID 86950363
N-[(4-hydroxyphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 115577883
N'-cyclopropyl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
CID 122264467

Frequently Asked Questions

What is the IUPAC name of N-[(5-thiophen-2-ylfuran-2-yl)methyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[(5-thiophen-2-ylfuran-2-yl)methyl]-1-benzothiophene-2-carboxamide (CID 122264352) is N-[(5-thiophen-2-ylfuran-2-yl)methyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[(5-thiophen-2-ylfuran-2-yl)methyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[(5-thiophen-2-ylfuran-2-yl)methyl]-1-benzothiophene-2-carboxamide is O=C(NCc1ccc(-c2cccs2)o1)c1cc2ccccc2s1.
What is the InChIKey of N-[(5-thiophen-2-ylfuran-2-yl)methyl]-1-benzothiophene-2-carboxamide?
The InChIKey is HVVOPWZDIGBOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO2S2/c20-18(17-10-12-4-1-2-5-15(12)23-17)19-11-13-7-8-14(21-13)16-6-3-9-22-16/h1-10H,11H2,(H,19,20).
What are the key properties of N-[(5-thiophen-2-ylfuran-2-yl)methyl]-1-benzothiophene-2-carboxamide?
N-[(5-thiophen-2-ylfuran-2-yl)methyl]-1-benzothiophene-2-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-thiophen-2-ylfuran-2-yl)methyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 122264352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).