5-chloro-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide

C12H17ClN2O2S — CID 2712625

IUPAC5-chloro-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1ccc(Cl)s1
InChIInChI=1S/C12H17ClN2O2S/c13-11-3-2-10(18-11)12(16)14-4-1-5-15-6-8-17-9-7-15/h2-3H,1,4-9H2,(H,14,16)
InChIKeyQPXHVYJVANGMND-UHFFFAOYSA-N
MW288.80 g/mol
LogP1.85
Rot. Bonds5

About 5-chloro-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide

5-chloro-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide (PubChem CID 2712625) has the molecular formula C12H17ClN2O2S and a molecular weight of 288.80 g/mol. Its IUPAC name is 5-chloro-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide
PubChem CID2712625
Molecular FormulaC12H17ClN2O2S
Molecular Weight288.80 g/mol
Exact Mass288.07
IUPAC Name5-chloro-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1ccc(Cl)s1
InChIInChI=1S/C12H17ClN2O2S/c13-11-3-2-10(18-11)12(16)14-4-1-5-15-6-8-17-9-7-15/h2-3H,1,4-9H2,(H,14,16)
InChIKeyQPXHVYJVANGMND-UHFFFAOYSA-N
XLogP1.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-chloro-N-(3-morpholin-4-ylpropyl)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 5-chloro-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide (CID 2712625) is 5-chloro-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide is O=C(NCCCN1CCOCC1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide?
The InChIKey is QPXHVYJVANGMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2S/c13-11-3-2-10(18-11)12(16)14-4-1-5-15-6-8-17-9-7-15/h2-3H,1,4-9H2,(H,14,16).
What are the key properties of 5-chloro-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide?
5-chloro-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide has a molecular weight of 288.80 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide is sourced from PubChem (CID 2712625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).