5-iodo-N-[(2-methoxyphenyl)methyl]thiophene-3-carboxamide

C13H12INO2S — CID 78948585

IUPAC5-iodo-N-[(2-methoxyphenyl)methyl]thiophene-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1csc(I)c1
InChIInChI=1S/C13H12INO2S/c1-17-11-5-3-2-4-9(11)7-15-13(16)10-6-12(14)18-8-10/h2-6,8H,7H2,1H3,(H,15,16)
InChIKeyDKKSHWBTVGOUEC-UHFFFAOYSA-N
MW373.22 g/mol
LogP3.29
Rot. Bonds4

About 5-iodo-N-[(2-methoxyphenyl)methyl]thiophene-3-carboxamide

5-iodo-N-[(2-methoxyphenyl)methyl]thiophene-3-carboxamide (PubChem CID 78948585) has the molecular formula C13H12INO2S and a molecular weight of 373.22 g/mol. Its IUPAC name is 5-iodo-N-[(2-methoxyphenyl)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-iodo-N-[(2-methoxyphenyl)methyl]thiophene-3-carboxamide
PubChem CID78948585
Molecular FormulaC13H12INO2S
Molecular Weight373.22 g/mol
Exact Mass372.96
IUPAC Name5-iodo-N-[(2-methoxyphenyl)methyl]thiophene-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1csc(I)c1
InChIInChI=1S/C13H12INO2S/c1-17-11-5-3-2-4-9(11)7-15-13(16)10-6-12(14)18-8-10/h2-6,8H,7H2,1H3,(H,15,16)
InChIKeyDKKSHWBTVGOUEC-UHFFFAOYSA-N
XLogP3.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.22
LogP ≤ 53.29
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

N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 755236
4-methoxy-N-[(2-methoxyphenyl)methyl]-3-methylbenzamide
CID 17018061
4-tert-butyl-N-[(2-methoxyphenyl)methyl]benzamide
CID 795553
2-iodo-N-[(2-methoxyphenyl)methyl]benzamide
CID 1378811
3-chloro-4-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 95970560
N-[(2-methoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 15997618
N-[(2-methoxyphenyl)methyl]-1-methylpyrrole-3-carboxamide
CID 110762648
N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 110466860
2,4,5-trimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 912738
4-hydrazinyl-N-[(2-methoxyphenyl)methyl]benzamide
CID 62236486
4-bromo-3-hydroxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 103830352
3-chloro-4,5-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 2713221

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-[(2-methoxyphenyl)methyl]thiophene-3-carboxamide?
The IUPAC name of 5-iodo-N-[(2-methoxyphenyl)methyl]thiophene-3-carboxamide (CID 78948585) is 5-iodo-N-[(2-methoxyphenyl)methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-iodo-N-[(2-methoxyphenyl)methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-iodo-N-[(2-methoxyphenyl)methyl]thiophene-3-carboxamide is COc1ccccc1CNC(=O)c1csc(I)c1.
What is the InChIKey of 5-iodo-N-[(2-methoxyphenyl)methyl]thiophene-3-carboxamide?
The InChIKey is DKKSHWBTVGOUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12INO2S/c1-17-11-5-3-2-4-9(11)7-15-13(16)10-6-12(14)18-8-10/h2-6,8H,7H2,1H3,(H,15,16).
What are the key properties of 5-iodo-N-[(2-methoxyphenyl)methyl]thiophene-3-carboxamide?
5-iodo-N-[(2-methoxyphenyl)methyl]thiophene-3-carboxamide has a molecular weight of 373.22 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-[(2-methoxyphenyl)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 78948585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).