N-[2-(5-ethyl-1-benzothiophen-3-yl)ethyl]propanamide

C15H19NOS — CID 21469691

IUPACN-[2-(5-ethyl-1-benzothiophen-3-yl)ethyl]propanamide
SMILESCCC(=O)NCCc1csc2ccc(CC)cc12
InChIInChI=1S/C15H19NOS/c1-3-11-5-6-14-13(9-11)12(10-18-14)7-8-16-15(17)4-2/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,16,17)
InChIKeyKKNVLYJWTGWAON-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.53
Rot. Bonds5

About N-[2-(5-ethyl-1-benzothiophen-3-yl)ethyl]propanamide

N-[2-(5-ethyl-1-benzothiophen-3-yl)ethyl]propanamide (PubChem CID 21469691) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is N-[2-(5-ethyl-1-benzothiophen-3-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(5-ethyl-1-benzothiophen-3-yl)ethyl]propanamide
PubChem CID21469691
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC NameN-[2-(5-ethyl-1-benzothiophen-3-yl)ethyl]propanamide
SMILESCCC(=O)NCCc1csc2ccc(CC)cc12
InChIInChI=1S/C15H19NOS/c1-3-11-5-6-14-13(9-11)12(10-18-14)7-8-16-15(17)4-2/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,16,17)
InChIKeyKKNVLYJWTGWAON-UHFFFAOYSA-N
XLogP3.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(5-ethyl-1-benzothiophen-3-yl)ethyl]propanamide 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-(5-ethyl-1-benzothiophen-3-yl)ethyl]propanamide?
The IUPAC name of N-[2-(5-ethyl-1-benzothiophen-3-yl)ethyl]propanamide (CID 21469691) is N-[2-(5-ethyl-1-benzothiophen-3-yl)ethyl]propanamide.
What is the SMILES notation for N-[2-(5-ethyl-1-benzothiophen-3-yl)ethyl]propanamide?
The canonical SMILES for N-[2-(5-ethyl-1-benzothiophen-3-yl)ethyl]propanamide is CCC(=O)NCCc1csc2ccc(CC)cc12.
What is the InChIKey of N-[2-(5-ethyl-1-benzothiophen-3-yl)ethyl]propanamide?
The InChIKey is KKNVLYJWTGWAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-3-11-5-6-14-13(9-11)12(10-18-14)7-8-16-15(17)4-2/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,16,17).
What are the key properties of N-[2-(5-ethyl-1-benzothiophen-3-yl)ethyl]propanamide?
N-[2-(5-ethyl-1-benzothiophen-3-yl)ethyl]propanamide has a molecular weight of 261.39 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-ethyl-1-benzothiophen-3-yl)ethyl]propanamide is sourced from PubChem (CID 21469691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).