N-(3-butoxypropyl)thiophene-2-carboxamide

C12H19NO2S — CID 2287726

IUPACN-(3-butoxypropyl)thiophene-2-carboxamide
SMILESCCCCOCCCNC(=O)c1cccs1
InChIInChI=1S/C12H19NO2S/c1-2-3-8-15-9-5-7-13-12(14)11-6-4-10-16-11/h4,6,10H,2-3,5,7-9H2,1H3,(H,13,14)
InChIKeyLMDNZTVXVBATOQ-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.68
Rot. Bonds8

About N-(3-butoxypropyl)thiophene-2-carboxamide

N-(3-butoxypropyl)thiophene-2-carboxamide (PubChem CID 2287726) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is N-(3-butoxypropyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-butoxypropyl)thiophene-2-carboxamide
PubChem CID2287726
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC NameN-(3-butoxypropyl)thiophene-2-carboxamide
SMILESCCCCOCCCNC(=O)c1cccs1
InChIInChI=1S/C12H19NO2S/c1-2-3-8-15-9-5-7-13-12(14)11-6-4-10-16-11/h4,6,10H,2-3,5,7-9H2,1H3,(H,13,14)
InChIKeyLMDNZTVXVBATOQ-UHFFFAOYSA-N
XLogP2.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-butoxypropyl)thiophene-2-carboxamide 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-(3-butoxypropyl)thiophene-2-carboxamide?
The IUPAC name of N-(3-butoxypropyl)thiophene-2-carboxamide (CID 2287726) is N-(3-butoxypropyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(3-butoxypropyl)thiophene-2-carboxamide?
The canonical SMILES for N-(3-butoxypropyl)thiophene-2-carboxamide is CCCCOCCCNC(=O)c1cccs1.
What is the InChIKey of N-(3-butoxypropyl)thiophene-2-carboxamide?
The InChIKey is LMDNZTVXVBATOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-2-3-8-15-9-5-7-13-12(14)11-6-4-10-16-11/h4,6,10H,2-3,5,7-9H2,1H3,(H,13,14).
What are the key properties of N-(3-butoxypropyl)thiophene-2-carboxamide?
N-(3-butoxypropyl)thiophene-2-carboxamide has a molecular weight of 241.36 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)thiophene-2-carboxamide is sourced from PubChem (CID 2287726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).