5-iodo-N-[1-(oxolan-3-yl)ethyl]thiophene-3-carboxamide

C11H14INO2S — CID 115648944

IUPAC5-iodo-N-[1-(oxolan-3-yl)ethyl]thiophene-3-carboxamide
SMILESCC(NC(=O)c1csc(I)c1)C1CCOC1
InChIInChI=1S/C11H14INO2S/c1-7(8-2-3-15-5-8)13-11(14)9-4-10(12)16-6-9/h4,6-8H,2-3,5H2,1H3,(H,13,14)
InChIKeyNUHQKTUXHZMGCU-UHFFFAOYSA-N
MW351.21 g/mol
LogP2.51
Rot. Bonds3

About 5-iodo-N-[1-(oxolan-3-yl)ethyl]thiophene-3-carboxamide

5-iodo-N-[1-(oxolan-3-yl)ethyl]thiophene-3-carboxamide (PubChem CID 115648944) has the molecular formula C11H14INO2S and a molecular weight of 351.21 g/mol. Its IUPAC name is 5-iodo-N-[1-(oxolan-3-yl)ethyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-iodo-N-[1-(oxolan-3-yl)ethyl]thiophene-3-carboxamide
PubChem CID115648944
Molecular FormulaC11H14INO2S
Molecular Weight351.21 g/mol
Exact Mass350.98
IUPAC Name5-iodo-N-[1-(oxolan-3-yl)ethyl]thiophene-3-carboxamide
SMILESCC(NC(=O)c1csc(I)c1)C1CCOC1
InChIInChI=1S/C11H14INO2S/c1-7(8-2-3-15-5-8)13-11(14)9-4-10(12)16-6-9/h4,6-8H,2-3,5H2,1H3,(H,13,14)
InChIKeyNUHQKTUXHZMGCU-UHFFFAOYSA-N
XLogP2.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.21
LogP ≤ 52.51
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

3-hydroxy-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 113366833
3-[[(1R)-1-[(3R)-oxolan-3-yl]ethyl]carbamoyl]benzoic acid
CID 124595766
4-[1-(oxolan-3-yl)ethylcarbamoyl]benzoic acid
CID 113263166
4-[1-(oxolan-3-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 113263165
5-iodo-N-propan-2-ylthiophene-3-carboxamide
CID 78949917
N-(1-cyclopropylbutan-2-yl)-5-iodothiophene-3-carboxamide
CID 78958436
2-iodo-3-methyl-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 113241559
3-(cyclopropylmethylsulfamoyl)-N-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]benzamide
CID 100624397
3-hydroxy-4-nitro-N-[(1S)-1-[(3S)-oxolan-3-yl]ethyl]benzamide
CID 99774885
3-hydroxy-N-[1-(oxan-4-yl)ethyl]benzamide
CID 113368337
4-amino-3-nitro-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 115649252
5-chloro-2-fluoro-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 113241572

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-[1-(oxolan-3-yl)ethyl]thiophene-3-carboxamide?
The IUPAC name of 5-iodo-N-[1-(oxolan-3-yl)ethyl]thiophene-3-carboxamide (CID 115648944) is 5-iodo-N-[1-(oxolan-3-yl)ethyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-iodo-N-[1-(oxolan-3-yl)ethyl]thiophene-3-carboxamide?
The canonical SMILES for 5-iodo-N-[1-(oxolan-3-yl)ethyl]thiophene-3-carboxamide is CC(NC(=O)c1csc(I)c1)C1CCOC1.
What is the InChIKey of 5-iodo-N-[1-(oxolan-3-yl)ethyl]thiophene-3-carboxamide?
The InChIKey is NUHQKTUXHZMGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14INO2S/c1-7(8-2-3-15-5-8)13-11(14)9-4-10(12)16-6-9/h4,6-8H,2-3,5H2,1H3,(H,13,14).
What are the key properties of 5-iodo-N-[1-(oxolan-3-yl)ethyl]thiophene-3-carboxamide?
5-iodo-N-[1-(oxolan-3-yl)ethyl]thiophene-3-carboxamide has a molecular weight of 351.21 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-[1-(oxolan-3-yl)ethyl]thiophene-3-carboxamide is sourced from PubChem (CID 115648944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).