5-iodo-N-[(3-methoxyoxolan-3-yl)methyl]thiophene-3-carboxamide

C11H14INO3S — CID 104708936

IUPAC5-iodo-N-[(3-methoxyoxolan-3-yl)methyl]thiophene-3-carboxamide
SMILESCOC1(CNC(=O)c2csc(I)c2)CCOC1
InChIInChI=1S/C11H14INO3S/c1-15-11(2-3-16-7-11)6-13-10(14)8-4-9(12)17-5-8/h4-5H,2-3,6-7H2,1H3,(H,13,14)
InChIKeyIHUWAYHWYAETLS-UHFFFAOYSA-N
MW367.21 g/mol
LogP1.89
Rot. Bonds4

About 5-iodo-N-[(3-methoxyoxolan-3-yl)methyl]thiophene-3-carboxamide

5-iodo-N-[(3-methoxyoxolan-3-yl)methyl]thiophene-3-carboxamide (PubChem CID 104708936) has the molecular formula C11H14INO3S and a molecular weight of 367.21 g/mol. Its IUPAC name is 5-iodo-N-[(3-methoxyoxolan-3-yl)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-iodo-N-[(3-methoxyoxolan-3-yl)methyl]thiophene-3-carboxamide
PubChem CID104708936
Molecular FormulaC11H14INO3S
Molecular Weight367.21 g/mol
Exact Mass366.97
IUPAC Name5-iodo-N-[(3-methoxyoxolan-3-yl)methyl]thiophene-3-carboxamide
SMILESCOC1(CNC(=O)c2csc(I)c2)CCOC1
InChIInChI=1S/C11H14INO3S/c1-15-11(2-3-16-7-11)6-13-10(14)8-4-9(12)17-5-8/h4-5H,2-3,6-7H2,1H3,(H,13,14)
InChIKeyIHUWAYHWYAETLS-UHFFFAOYSA-N
XLogP1.89
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.21
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 104708938
3-amino-5-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]benzamide
CID 104758337
3-bromo-4-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]benzamide
CID 104709027
(3-methoxyoxolan-3-yl)methylurea
CID 104704481
N-[(3-methoxyoxolan-3-yl)methyl]-4-sulfamoylbenzamide
CID 104764689
4-(ethylamino)-N-[(3-methoxyoxolan-3-yl)methyl]-3-methylbenzamide
CID 104765742
2-amino-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylbenzamide
CID 104758367
N-[(3-methoxyoxolan-3-yl)methyl]-2-methyl-3-oxo-1H-pyrazole-5-carboxamide
CID 138035045
5-chloro-2-hydroxy-N-[(3-methoxyoxolan-3-yl)methyl]benzamide
CID 104708991
3-amino-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-2-carboxamide
CID 104761387
N-[(3-methoxyoxolan-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 104761389
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[(3-methoxyoxolan-3-yl)methyl]acetamide
CID 104764327

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-[(3-methoxyoxolan-3-yl)methyl]thiophene-3-carboxamide?
The IUPAC name of 5-iodo-N-[(3-methoxyoxolan-3-yl)methyl]thiophene-3-carboxamide (CID 104708936) is 5-iodo-N-[(3-methoxyoxolan-3-yl)methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-iodo-N-[(3-methoxyoxolan-3-yl)methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-iodo-N-[(3-methoxyoxolan-3-yl)methyl]thiophene-3-carboxamide is COC1(CNC(=O)c2csc(I)c2)CCOC1.
What is the InChIKey of 5-iodo-N-[(3-methoxyoxolan-3-yl)methyl]thiophene-3-carboxamide?
The InChIKey is IHUWAYHWYAETLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14INO3S/c1-15-11(2-3-16-7-11)6-13-10(14)8-4-9(12)17-5-8/h4-5H,2-3,6-7H2,1H3,(H,13,14).
What are the key properties of 5-iodo-N-[(3-methoxyoxolan-3-yl)methyl]thiophene-3-carboxamide?
5-iodo-N-[(3-methoxyoxolan-3-yl)methyl]thiophene-3-carboxamide has a molecular weight of 367.21 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-[(3-methoxyoxolan-3-yl)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 104708936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).