N-iodo-2-thiophen-3-ylacetamide

C6H6INOS — CID 143728885

IUPACN-iodo-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)NI
InChIInChI=1S/C6H6INOS/c7-8-6(9)3-5-1-2-10-4-5/h1-2,4H,3H2,(H,8,9)
InChIKeyUEVYIZKJROZKDM-UHFFFAOYSA-N
MW267.09 g/mol
LogP1.76
Rot. Bonds2

About N-iodo-2-thiophen-3-ylacetamide

N-iodo-2-thiophen-3-ylacetamide (PubChem CID 143728885) has the molecular formula C6H6INOS and a molecular weight of 267.09 g/mol. Its IUPAC name is N-iodo-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-iodo-2-thiophen-3-ylacetamide
PubChem CID143728885
Molecular FormulaC6H6INOS
Molecular Weight267.09 g/mol
Exact Mass266.92
IUPAC NameN-iodo-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)NI
InChIInChI=1S/C6H6INOS/c7-8-6(9)3-5-1-2-10-4-5/h1-2,4H,3H2,(H,8,9)
InChIKeyUEVYIZKJROZKDM-UHFFFAOYSA-N
XLogP1.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.09
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-iodo-2-thiophen-3-ylacetamide with MolForge

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

Launch Full Analysis

Related Compounds

Thiophen-2-acetamide
CID 78208
2-(Thiophen-3-yl)acetohydrazide
CID 468649
3-Thiopheneacetamide, alpha-(1-methylethyl)-
CID 3056607
2-(Thiophen-3-yl)butanimidic acid
CID 3056614
3-Thiopheneacetamide, alpha-(1-methylpropyl)-
CID 3056597
3-Ethyl-2-(thiophen-3-yl)pentanimidic acid
CID 3056598
3-Methyl-2-(thiophen-3-yl)hexanimidic acid
CID 3056599
3-Thiopheneacetamide, alpha,alpha-diallyl-
CID 3056602
3-Thiopheneacetamide, alpha,alpha-diethyl-
CID 3056606
3-Thiopheneacetamide, alpha,alpha-dipropyl-
CID 3056608
2-Ethyl-2-(thiophen-3-yl)pent-4-enimidic acid
CID 3056609
3-Thiopheneacetamide, alpha,alpha-bis(2-propynyl)-
CID 3056610

Frequently Asked Questions

What is the IUPAC name of N-iodo-2-thiophen-3-ylacetamide?
The IUPAC name of N-iodo-2-thiophen-3-ylacetamide (CID 143728885) is N-iodo-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-iodo-2-thiophen-3-ylacetamide?
The canonical SMILES for N-iodo-2-thiophen-3-ylacetamide is O=C(Cc1ccsc1)NI.
What is the InChIKey of N-iodo-2-thiophen-3-ylacetamide?
The InChIKey is UEVYIZKJROZKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6INOS/c7-8-6(9)3-5-1-2-10-4-5/h1-2,4H,3H2,(H,8,9).
What are the key properties of N-iodo-2-thiophen-3-ylacetamide?
N-iodo-2-thiophen-3-ylacetamide has a molecular weight of 267.09 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodo-2-thiophen-3-ylacetamide is sourced from PubChem (CID 143728885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).