2-(4-fluorophenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)acetamide

C18H21FN2OS — CID 16931555

IUPAC2-(4-fluorophenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)NCC(c1ccsc1)N1CCCC1
InChIInChI=1S/C18H21FN2OS/c19-16-5-3-14(4-6-16)11-18(22)20-12-17(15-7-10-23-13-15)21-8-1-2-9-21/h3-7,10,13,17H,1-2,8-9,11-12H2,(H,20,22)
InChIKeyGGYMETFPKNJCCB-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.38
Rot. Bonds6

About 2-(4-fluorophenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)acetamide

2-(4-fluorophenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)acetamide (PubChem CID 16931555) has the molecular formula C18H21FN2OS and a molecular weight of 332.44 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)acetamide
PubChem CID16931555
Molecular FormulaC18H21FN2OS
Molecular Weight332.44 g/mol
Exact Mass332.14
IUPAC Name2-(4-fluorophenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)NCC(c1ccsc1)N1CCCC1
InChIInChI=1S/C18H21FN2OS/c19-16-5-3-14(4-6-16)11-18(22)20-12-17(15-7-10-23-13-15)21-8-1-2-9-21/h3-7,10,13,17H,1-2,8-9,11-12H2,(H,20,22)
InChIKeyGGYMETFPKNJCCB-UHFFFAOYSA-N
XLogP3.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-fluorophenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)acetamide 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 2-(4-fluorophenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)acetamide (CID 16931555) is 2-(4-fluorophenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)acetamide is O=C(Cc1ccc(F)cc1)NCC(c1ccsc1)N1CCCC1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)acetamide?
The InChIKey is GGYMETFPKNJCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2OS/c19-16-5-3-14(4-6-16)11-18(22)20-12-17(15-7-10-23-13-15)21-8-1-2-9-21/h3-7,10,13,17H,1-2,8-9,11-12H2,(H,20,22).
What are the key properties of 2-(4-fluorophenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)acetamide?
2-(4-fluorophenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)acetamide has a molecular weight of 332.44 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)acetamide is sourced from PubChem (CID 16931555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).