N-[thiophen-2-yl(thiophen-3-yl)methyl]-1-benzofuran-2-carboxamide

C18H13NO2S2 — CID 121021387

IUPACN-[thiophen-2-yl(thiophen-3-yl)methyl]-1-benzofuran-2-carboxamide
SMILESO=C(NC(c1ccsc1)c1cccs1)c1cc2ccccc2o1
InChIInChI=1S/C18H13NO2S2/c20-18(15-10-12-4-1-2-5-14(12)21-15)19-17(13-7-9-22-11-13)16-6-3-8-23-16/h1-11,17H,(H,19,20)
InChIKeyGAKQCBIJFHNTCK-UHFFFAOYSA-N
MW339.44 g/mol
LogP5.08
Rot. Bonds4

About N-[thiophen-2-yl(thiophen-3-yl)methyl]-1-benzofuran-2-carboxamide

N-[thiophen-2-yl(thiophen-3-yl)methyl]-1-benzofuran-2-carboxamide (PubChem CID 121021387) has the molecular formula C18H13NO2S2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[thiophen-2-yl(thiophen-3-yl)methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[thiophen-2-yl(thiophen-3-yl)methyl]-1-benzofuran-2-carboxamide
PubChem CID121021387
Molecular FormulaC18H13NO2S2
Molecular Weight339.44 g/mol
Exact Mass339.04
IUPAC NameN-[thiophen-2-yl(thiophen-3-yl)methyl]-1-benzofuran-2-carboxamide
SMILESO=C(NC(c1ccsc1)c1cccs1)c1cc2ccccc2o1
InChIInChI=1S/C18H13NO2S2/c20-18(15-10-12-4-1-2-5-14(12)21-15)19-17(13-7-9-22-11-13)16-6-3-8-23-16/h1-11,17H,(H,19,20)
InChIKeyGAKQCBIJFHNTCK-UHFFFAOYSA-N
XLogP5.08
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 ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-benzofuran-2-carbonylamino)-2-thiophen-2-ylacetic acid
CID 115283855
N-benzhydryl-1-benzofuran-2-carboxamide
CID 880613
5-bromo-N-[thiophen-2-yl(thiophen-3-yl)methyl]pyridine-3-carboxamide
CID 121021406
2-chloro-4-fluoro-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzamide
CID 129354884
3-(3-chlorophenyl)-N-[(R)-thiophen-2-yl(thiophen-3-yl)methyl]propanamide
CID 129354627
3-(3-chlorophenyl)-N-[thiophen-2-yl(thiophen-3-yl)methyl]propanamide
CID 119104237
5-methyl-N-[(S)-phenyl(thiophen-2-yl)methyl]furan-2-carboxamide
CID 25437940
N-[4-(thiophene-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide
CID 1016193
5-chloro-2-methoxy-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzamide
CID 129354714
3-fluoro-4-methoxy-N-[thiophen-2-yl(thiophen-3-yl)methyl]benzamide
CID 119104238
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366960
methyl 2-(1-benzofuran-2-carbonylamino)propanoate
CID 19167935

Frequently Asked Questions

What is the IUPAC name of N-[thiophen-2-yl(thiophen-3-yl)methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[thiophen-2-yl(thiophen-3-yl)methyl]-1-benzofuran-2-carboxamide (CID 121021387) is N-[thiophen-2-yl(thiophen-3-yl)methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[thiophen-2-yl(thiophen-3-yl)methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[thiophen-2-yl(thiophen-3-yl)methyl]-1-benzofuran-2-carboxamide is O=C(NC(c1ccsc1)c1cccs1)c1cc2ccccc2o1.
What is the InChIKey of N-[thiophen-2-yl(thiophen-3-yl)methyl]-1-benzofuran-2-carboxamide?
The InChIKey is GAKQCBIJFHNTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO2S2/c20-18(15-10-12-4-1-2-5-14(12)21-15)19-17(13-7-9-22-11-13)16-6-3-8-23-16/h1-11,17H,(H,19,20).
What are the key properties of N-[thiophen-2-yl(thiophen-3-yl)methyl]-1-benzofuran-2-carboxamide?
N-[thiophen-2-yl(thiophen-3-yl)methyl]-1-benzofuran-2-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[thiophen-2-yl(thiophen-3-yl)methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 121021387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).