N-[2-(1-methoxyethenyl)-4-methylthiophen-3-yl]-2-pyrrolidin-1-ylacetamide

C14H20N2O2S — CID 177002330

IUPACN-[2-(1-methoxyethenyl)-4-methylthiophen-3-yl]-2-pyrrolidin-1-ylacetamide
SMILESC=C(OC)c1scc(C)c1NC(=O)CN1CCCC1
InChIInChI=1S/C14H20N2O2S/c1-10-9-19-14(11(2)18-3)13(10)15-12(17)8-16-6-4-5-7-16/h9H,2,4-8H2,1,3H3,(H,15,17)
InChIKeyFZMQYHDZDJHROI-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.71
Rot. Bonds5

About N-[2-(1-methoxyethenyl)-4-methylthiophen-3-yl]-2-pyrrolidin-1-ylacetamide

N-[2-(1-methoxyethenyl)-4-methylthiophen-3-yl]-2-pyrrolidin-1-ylacetamide (PubChem CID 177002330) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-[2-(1-methoxyethenyl)-4-methylthiophen-3-yl]-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[2-(1-methoxyethenyl)-4-methylthiophen-3-yl]-2-pyrrolidin-1-ylacetamide
PubChem CID177002330
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-[2-(1-methoxyethenyl)-4-methylthiophen-3-yl]-2-pyrrolidin-1-ylacetamide
SMILESC=C(OC)c1scc(C)c1NC(=O)CN1CCCC1
InChIInChI=1S/C14H20N2O2S/c1-10-9-19-14(11(2)18-3)13(10)15-12(17)8-16-6-4-5-7-16/h9H,2,4-8H2,1,3H3,(H,15,17)
InChIKeyFZMQYHDZDJHROI-UHFFFAOYSA-N
XLogP2.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze N-[2-(1-methoxyethenyl)-4-methylthiophen-3-yl]-2-pyrrolidin-1-ylacetamide 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-(1-methoxyethenyl)-4-methylthiophen-3-yl]-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[2-(1-methoxyethenyl)-4-methylthiophen-3-yl]-2-pyrrolidin-1-ylacetamide (CID 177002330) is N-[2-(1-methoxyethenyl)-4-methylthiophen-3-yl]-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[2-(1-methoxyethenyl)-4-methylthiophen-3-yl]-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[2-(1-methoxyethenyl)-4-methylthiophen-3-yl]-2-pyrrolidin-1-ylacetamide is C=C(OC)c1scc(C)c1NC(=O)CN1CCCC1.
What is the InChIKey of N-[2-(1-methoxyethenyl)-4-methylthiophen-3-yl]-2-pyrrolidin-1-ylacetamide?
The InChIKey is FZMQYHDZDJHROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-10-9-19-14(11(2)18-3)13(10)15-12(17)8-16-6-4-5-7-16/h9H,2,4-8H2,1,3H3,(H,15,17).
What are the key properties of N-[2-(1-methoxyethenyl)-4-methylthiophen-3-yl]-2-pyrrolidin-1-ylacetamide?
N-[2-(1-methoxyethenyl)-4-methylthiophen-3-yl]-2-pyrrolidin-1-ylacetamide has a molecular weight of 280.39 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methoxyethenyl)-4-methylthiophen-3-yl]-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 177002330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).