N-(2-acetamidoethyl)-4,5-dimethylthiophene-2-carboxamide

C11H16N2O2S — CID 30596154

IUPACN-(2-acetamidoethyl)-4,5-dimethylthiophene-2-carboxamide
SMILESCC(=O)NCCNC(=O)c1cc(C)c(C)s1
InChIInChI=1S/C11H16N2O2S/c1-7-6-10(16-8(7)2)11(15)13-5-4-12-9(3)14/h6H,4-5H2,1-3H3,(H,12,14)(H,13,15)
InChIKeyYDXGZDBHLFCGFO-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.23
Rot. Bonds4

About N-(2-acetamidoethyl)-4,5-dimethylthiophene-2-carboxamide

N-(2-acetamidoethyl)-4,5-dimethylthiophene-2-carboxamide (PubChem CID 30596154) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-4,5-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-4,5-dimethylthiophene-2-carboxamide
PubChem CID30596154
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC NameN-(2-acetamidoethyl)-4,5-dimethylthiophene-2-carboxamide
SMILESCC(=O)NCCNC(=O)c1cc(C)c(C)s1
InChIInChI=1S/C11H16N2O2S/c1-7-6-10(16-8(7)2)11(15)13-5-4-12-9(3)14/h6H,4-5H2,1-3H3,(H,12,14)(H,13,15)
InChIKeyYDXGZDBHLFCGFO-UHFFFAOYSA-N
XLogP1.23
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-acetamidoethyl)-4,5-dimethylthiophene-2-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-(2-acetamidoethyl)-4,5-dimethylthiophene-2-carboxamide?
The IUPAC name of N-(2-acetamidoethyl)-4,5-dimethylthiophene-2-carboxamide (CID 30596154) is N-(2-acetamidoethyl)-4,5-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-acetamidoethyl)-4,5-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-(2-acetamidoethyl)-4,5-dimethylthiophene-2-carboxamide is CC(=O)NCCNC(=O)c1cc(C)c(C)s1.
What is the InChIKey of N-(2-acetamidoethyl)-4,5-dimethylthiophene-2-carboxamide?
The InChIKey is YDXGZDBHLFCGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-7-6-10(16-8(7)2)11(15)13-5-4-12-9(3)14/h6H,4-5H2,1-3H3,(H,12,14)(H,13,15).
What are the key properties of N-(2-acetamidoethyl)-4,5-dimethylthiophene-2-carboxamide?
N-(2-acetamidoethyl)-4,5-dimethylthiophene-2-carboxamide has a molecular weight of 240.33 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-4,5-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 30596154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).