N,N-diethyl-2-iodothiophene-3-carboxamide

C9H12INOS — CID 134967126

IUPACN,N-diethyl-2-iodothiophene-3-carboxamide
SMILESCCN(CC)C(=O)c1ccsc1I
InChIInChI=1S/C9H12INOS/c1-3-11(4-2)9(12)7-5-6-13-8(7)10/h5-6H,3-4H2,1-2H3
InChIKeyINTKKUQHCQRGIN-UHFFFAOYSA-N
MW309.17 g/mol
LogP2.83
Rot. Bonds3

About N,N-diethyl-2-iodothiophene-3-carboxamide

N,N-diethyl-2-iodothiophene-3-carboxamide (PubChem CID 134967126) has the molecular formula C9H12INOS and a molecular weight of 309.17 g/mol. Its IUPAC name is N,N-diethyl-2-iodothiophene-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-2-iodothiophene-3-carboxamide
PubChem CID134967126
Molecular FormulaC9H12INOS
Molecular Weight309.17 g/mol
Exact Mass308.97
IUPAC NameN,N-diethyl-2-iodothiophene-3-carboxamide
SMILESCCN(CC)C(=O)c1ccsc1I
InChIInChI=1S/C9H12INOS/c1-3-11(4-2)9(12)7-5-6-13-8(7)10/h5-6H,3-4H2,1-2H3
InChIKeyINTKKUQHCQRGIN-UHFFFAOYSA-N
XLogP2.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.17
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N-diethyl-2-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,N-diethyl-2-iodothiophene-3-carboxamide?
The IUPAC name of N,N-diethyl-2-iodothiophene-3-carboxamide (CID 134967126) is N,N-diethyl-2-iodothiophene-3-carboxamide.
What is the SMILES notation for N,N-diethyl-2-iodothiophene-3-carboxamide?
The canonical SMILES for N,N-diethyl-2-iodothiophene-3-carboxamide is CCN(CC)C(=O)c1ccsc1I.
What is the InChIKey of N,N-diethyl-2-iodothiophene-3-carboxamide?
The InChIKey is INTKKUQHCQRGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12INOS/c1-3-11(4-2)9(12)7-5-6-13-8(7)10/h5-6H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-2-iodothiophene-3-carboxamide?
N,N-diethyl-2-iodothiophene-3-carboxamide has a molecular weight of 309.17 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-iodothiophene-3-carboxamide is sourced from PubChem (CID 134967126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).