5-(4-bromophenyl)-N-(4-morpholin-4-ylbutyl)thiophene-2-carboxamide

C19H23BrN2O2S — CID 55849212

IUPAC5-(4-bromophenyl)-N-(4-morpholin-4-ylbutyl)thiophene-2-carboxamide
SMILESO=C(NCCCCN1CCOCC1)c1ccc(-c2ccc(Br)cc2)s1
InChIInChI=1S/C19H23BrN2O2S/c20-16-5-3-15(4-6-16)17-7-8-18(25-17)19(23)21-9-1-2-10-22-11-13-24-14-12-22/h3-8H,1-2,9-14H2,(H,21,23)
InChIKeyCLYMYJOVQOBXQS-UHFFFAOYSA-N
MW423.38 g/mol
LogP4.02
Rot. Bonds7

About 5-(4-bromophenyl)-N-(4-morpholin-4-ylbutyl)thiophene-2-carboxamide

5-(4-bromophenyl)-N-(4-morpholin-4-ylbutyl)thiophene-2-carboxamide (PubChem CID 55849212) has the molecular formula C19H23BrN2O2S and a molecular weight of 423.38 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-(4-morpholin-4-ylbutyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-(4-morpholin-4-ylbutyl)thiophene-2-carboxamide
PubChem CID55849212
Molecular FormulaC19H23BrN2O2S
Molecular Weight423.38 g/mol
Exact Mass422.07
IUPAC Name5-(4-bromophenyl)-N-(4-morpholin-4-ylbutyl)thiophene-2-carboxamide
SMILESO=C(NCCCCN1CCOCC1)c1ccc(-c2ccc(Br)cc2)s1
InChIInChI=1S/C19H23BrN2O2S/c20-16-5-3-15(4-6-16)17-7-8-18(25-17)19(23)21-9-1-2-10-22-11-13-24-14-12-22/h3-8H,1-2,9-14H2,(H,21,23)
InChIKeyCLYMYJOVQOBXQS-UHFFFAOYSA-N
XLogP4.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.38
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(4-bromophenyl)-N-(4-morpholin-4-ylbutyl)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-(4-bromophenyl)-N-(4-morpholin-4-ylbutyl)thiophene-2-carboxamide?
The IUPAC name of 5-(4-bromophenyl)-N-(4-morpholin-4-ylbutyl)thiophene-2-carboxamide (CID 55849212) is 5-(4-bromophenyl)-N-(4-morpholin-4-ylbutyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(4-bromophenyl)-N-(4-morpholin-4-ylbutyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(4-bromophenyl)-N-(4-morpholin-4-ylbutyl)thiophene-2-carboxamide is O=C(NCCCCN1CCOCC1)c1ccc(-c2ccc(Br)cc2)s1.
What is the InChIKey of 5-(4-bromophenyl)-N-(4-morpholin-4-ylbutyl)thiophene-2-carboxamide?
The InChIKey is CLYMYJOVQOBXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O2S/c20-16-5-3-15(4-6-16)17-7-8-18(25-17)19(23)21-9-1-2-10-22-11-13-24-14-12-22/h3-8H,1-2,9-14H2,(H,21,23).
What are the key properties of 5-(4-bromophenyl)-N-(4-morpholin-4-ylbutyl)thiophene-2-carboxamide?
5-(4-bromophenyl)-N-(4-morpholin-4-ylbutyl)thiophene-2-carboxamide has a molecular weight of 423.38 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-N-(4-morpholin-4-ylbutyl)thiophene-2-carboxamide is sourced from PubChem (CID 55849212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).