N-(1-hydroxy-2-methylpropan-2-yl)-5-iodothiophene-3-carboxamide

C9H12INO2S — CID 79692866

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-5-iodothiophene-3-carboxamide
SMILESCC(C)(CO)NC(=O)c1csc(I)c1
InChIInChI=1S/C9H12INO2S/c1-9(2,5-12)11-8(13)6-3-7(10)14-4-6/h3-4,12H,5H2,1-2H3,(H,11,13)
InChIKeyZSVOBOUNSXZAOP-UHFFFAOYSA-N
MW325.17 g/mol
LogP1.85
Rot. Bonds3

About N-(1-hydroxy-2-methylpropan-2-yl)-5-iodothiophene-3-carboxamide

N-(1-hydroxy-2-methylpropan-2-yl)-5-iodothiophene-3-carboxamide (PubChem CID 79692866) has the molecular formula C9H12INO2S and a molecular weight of 325.17 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-5-iodothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-5-iodothiophene-3-carboxamide
PubChem CID79692866
Molecular FormulaC9H12INO2S
Molecular Weight325.17 g/mol
Exact Mass324.96
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-5-iodothiophene-3-carboxamide
SMILESCC(C)(CO)NC(=O)c1csc(I)c1
InChIInChI=1S/C9H12INO2S/c1-9(2,5-12)11-8(13)6-3-7(10)14-4-6/h3-4,12H,5H2,1-2H3,(H,11,13)
InChIKeyZSVOBOUNSXZAOP-UHFFFAOYSA-N
XLogP1.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.17
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(1-hydroxy-2-methylpropan-2-yl)-5-iodothiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-5-iodothiophene-3-carboxamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-5-iodothiophene-3-carboxamide (CID 79692866) is N-(1-hydroxy-2-methylpropan-2-yl)-5-iodothiophene-3-carboxamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-5-iodothiophene-3-carboxamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-5-iodothiophene-3-carboxamide is CC(C)(CO)NC(=O)c1csc(I)c1.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-5-iodothiophene-3-carboxamide?
The InChIKey is ZSVOBOUNSXZAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12INO2S/c1-9(2,5-12)11-8(13)6-3-7(10)14-4-6/h3-4,12H,5H2,1-2H3,(H,11,13).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-5-iodothiophene-3-carboxamide?
N-(1-hydroxy-2-methylpropan-2-yl)-5-iodothiophene-3-carboxamide has a molecular weight of 325.17 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-5-iodothiophene-3-carboxamide is sourced from PubChem (CID 79692866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).