2-iodo-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzamide

C16H12INO2S — CID 122264339

IUPAC2-iodo-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzamide
SMILESO=C(NCc1ccc(-c2cccs2)o1)c1ccccc1I
InChIInChI=1S/C16H12INO2S/c17-13-5-2-1-4-12(13)16(19)18-10-11-7-8-14(20-11)15-6-3-9-21-15/h1-9H,10H2,(H,18,19)
InChIKeyRCADHCALAMSPQK-UHFFFAOYSA-N
MW409.25 g/mol
LogP4.54
Rot. Bonds4

About 2-iodo-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzamide

2-iodo-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzamide (PubChem CID 122264339) has the molecular formula C16H12INO2S and a molecular weight of 409.25 g/mol. Its IUPAC name is 2-iodo-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-iodo-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzamide
PubChem CID122264339
Molecular FormulaC16H12INO2S
Molecular Weight409.25 g/mol
Exact Mass408.96
IUPAC Name2-iodo-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzamide
SMILESO=C(NCc1ccc(-c2cccs2)o1)c1ccccc1I
InChIInChI=1S/C16H12INO2S/c17-13-5-2-1-4-12(13)16(19)18-10-11-7-8-14(20-11)15-6-3-9-21-15/h1-9H,10H2,(H,18,19)
InChIKeyRCADHCALAMSPQK-UHFFFAOYSA-N
XLogP4.54
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.25
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzamide
CID 119101790
N-[(5-thiophen-2-ylfuran-2-yl)methyl]-1-benzothiophene-2-carboxamide
CID 122264352
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
2,2-diphenyl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]acetamide
CID 122264322
1-propan-2-yl-3-[(5-thiophen-2-ylfuran-2-yl)methyl]urea
CID 122264543
N'-cyclopropyl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
CID 122264467
1-[(5-thiophen-2-ylfuran-2-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 121019157
8-methoxy-2-oxo-N-[(5-thiophen-2-ylfuran-2-yl)methyl]chromene-3-carboxamide
CID 122264327
N-[(5-thiophen-2-ylfuran-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 119101817
1-(2-phenoxyethyl)-3-[(5-thiophen-2-ylfuran-2-yl)methyl]urea
CID 122264565
N'-(4-fluorophenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
CID 122264483

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzamide?
The IUPAC name of 2-iodo-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzamide (CID 122264339) is 2-iodo-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzamide.
What is the SMILES notation for 2-iodo-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzamide?
The canonical SMILES for 2-iodo-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzamide is O=C(NCc1ccc(-c2cccs2)o1)c1ccccc1I.
What is the InChIKey of 2-iodo-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzamide?
The InChIKey is RCADHCALAMSPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12INO2S/c17-13-5-2-1-4-12(13)16(19)18-10-11-7-8-14(20-11)15-6-3-9-21-15/h1-9H,10H2,(H,18,19).
What are the key properties of 2-iodo-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzamide?
2-iodo-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzamide has a molecular weight of 409.25 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzamide is sourced from PubChem (CID 122264339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).