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

C17H23NOS — CID 21469682

IUPACN-[2-(5-ethyl-1-benzothiophen-3-yl)ethyl]pentanamide
SMILESCCCCC(=O)NCCc1csc2ccc(CC)cc12
InChIInChI=1S/C17H23NOS/c1-3-5-6-17(19)18-10-9-14-12-20-16-8-7-13(4-2)11-15(14)16/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,18,19)
InChIKeyNWKYOAKGGGPZJR-UHFFFAOYSA-N
MW289.44 g/mol
LogP4.31
Rot. Bonds7

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

N-[2-(5-ethyl-1-benzothiophen-3-yl)ethyl]pentanamide (PubChem CID 21469682) has the molecular formula C17H23NOS and a molecular weight of 289.44 g/mol. Its IUPAC name is N-[2-(5-ethyl-1-benzothiophen-3-yl)ethyl]pentanamide.

Molecular Properties

Compound NameN-[2-(5-ethyl-1-benzothiophen-3-yl)ethyl]pentanamide
PubChem CID21469682
Molecular FormulaC17H23NOS
Molecular Weight289.44 g/mol
Exact Mass289.15
IUPAC NameN-[2-(5-ethyl-1-benzothiophen-3-yl)ethyl]pentanamide
SMILESCCCCC(=O)NCCc1csc2ccc(CC)cc12
InChIInChI=1S/C17H23NOS/c1-3-5-6-17(19)18-10-9-14-12-20-16-8-7-13(4-2)11-15(14)16/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,18,19)
InChIKeyNWKYOAKGGGPZJR-UHFFFAOYSA-N
XLogP4.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(5-ethyl-1-benzothiophen-3-yl)ethyl]pentanamide 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]pentanamide?
The IUPAC name of N-[2-(5-ethyl-1-benzothiophen-3-yl)ethyl]pentanamide (CID 21469682) is N-[2-(5-ethyl-1-benzothiophen-3-yl)ethyl]pentanamide.
What is the SMILES notation for N-[2-(5-ethyl-1-benzothiophen-3-yl)ethyl]pentanamide?
The canonical SMILES for N-[2-(5-ethyl-1-benzothiophen-3-yl)ethyl]pentanamide is CCCCC(=O)NCCc1csc2ccc(CC)cc12.
What is the InChIKey of N-[2-(5-ethyl-1-benzothiophen-3-yl)ethyl]pentanamide?
The InChIKey is NWKYOAKGGGPZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NOS/c1-3-5-6-17(19)18-10-9-14-12-20-16-8-7-13(4-2)11-15(14)16/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,18,19).
What are the key properties of N-[2-(5-ethyl-1-benzothiophen-3-yl)ethyl]pentanamide?
N-[2-(5-ethyl-1-benzothiophen-3-yl)ethyl]pentanamide has a molecular weight of 289.44 g/mol, XLogP of 4.31, 7 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]pentanamide is sourced from PubChem (CID 21469682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).