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

C16H21NO2S — CID 10085672

IUPACN-[2-(5-methoxy-1-benzothiophen-3-yl)ethyl]pentanamide
SMILESCCCCC(=O)NCCc1csc2ccc(OC)cc12
InChIInChI=1S/C16H21NO2S/c1-3-4-5-16(18)17-9-8-12-11-20-15-7-6-13(19-2)10-14(12)15/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,17,18)
InChIKeyZYBDZJNYFONWKO-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.76
Rot. Bonds7

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

N-[2-(5-methoxy-1-benzothiophen-3-yl)ethyl]pentanamide (PubChem CID 10085672) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is N-[2-(5-methoxy-1-benzothiophen-3-yl)ethyl]pentanamide.

Molecular Properties

Compound NameN-[2-(5-methoxy-1-benzothiophen-3-yl)ethyl]pentanamide
PubChem CID10085672
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC NameN-[2-(5-methoxy-1-benzothiophen-3-yl)ethyl]pentanamide
SMILESCCCCC(=O)NCCc1csc2ccc(OC)cc12
InChIInChI=1S/C16H21NO2S/c1-3-4-5-16(18)17-9-8-12-11-20-15-7-6-13(19-2)10-14(12)15/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,17,18)
InChIKeyZYBDZJNYFONWKO-UHFFFAOYSA-N
XLogP3.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(5-methoxy-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-methoxy-1-benzothiophen-3-yl)ethyl]pentanamide?
The IUPAC name of N-[2-(5-methoxy-1-benzothiophen-3-yl)ethyl]pentanamide (CID 10085672) is N-[2-(5-methoxy-1-benzothiophen-3-yl)ethyl]pentanamide.
What is the SMILES notation for N-[2-(5-methoxy-1-benzothiophen-3-yl)ethyl]pentanamide?
The canonical SMILES for N-[2-(5-methoxy-1-benzothiophen-3-yl)ethyl]pentanamide is CCCCC(=O)NCCc1csc2ccc(OC)cc12.
What is the InChIKey of N-[2-(5-methoxy-1-benzothiophen-3-yl)ethyl]pentanamide?
The InChIKey is ZYBDZJNYFONWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S/c1-3-4-5-16(18)17-9-8-12-11-20-15-7-6-13(19-2)10-14(12)15/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,17,18).
What are the key properties of N-[2-(5-methoxy-1-benzothiophen-3-yl)ethyl]pentanamide?
N-[2-(5-methoxy-1-benzothiophen-3-yl)ethyl]pentanamide has a molecular weight of 291.42 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methoxy-1-benzothiophen-3-yl)ethyl]pentanamide is sourced from PubChem (CID 10085672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).