5-bromo-N-[4-[(5-bromothiophene-2-carbonyl)amino]butyl]thiophene-2-carboxamide

C14H14Br2N2O2S2 — CID 2309203

IUPAC5-bromo-N-[4-[(5-bromothiophene-2-carbonyl)amino]butyl]thiophene-2-carboxamide
SMILESO=C(NCCCCNC(=O)c1ccc(Br)s1)c1ccc(Br)s1
InChIInChI=1S/C14H14Br2N2O2S2/c15-11-5-3-9(21-11)13(19)17-7-1-2-8-18-14(20)10-4-6-12(16)22-10/h3-6H,1-2,7-8H2,(H,17,19)(H,18,20)
InChIKeyUKAAPFRAXVBCDC-UHFFFAOYSA-N
MW466.22 g/mol
LogP4.27
Rot. Bonds7

About 5-bromo-N-[4-[(5-bromothiophene-2-carbonyl)amino]butyl]thiophene-2-carboxamide

5-bromo-N-[4-[(5-bromothiophene-2-carbonyl)amino]butyl]thiophene-2-carboxamide (PubChem CID 2309203) has the molecular formula C14H14Br2N2O2S2 and a molecular weight of 466.22 g/mol. Its IUPAC name is 5-bromo-N-[4-[(5-bromothiophene-2-carbonyl)amino]butyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-[(5-bromothiophene-2-carbonyl)amino]butyl]thiophene-2-carboxamide
PubChem CID2309203
Molecular FormulaC14H14Br2N2O2S2
Molecular Weight466.22 g/mol
Exact Mass463.89
IUPAC Name5-bromo-N-[4-[(5-bromothiophene-2-carbonyl)amino]butyl]thiophene-2-carboxamide
SMILESO=C(NCCCCNC(=O)c1ccc(Br)s1)c1ccc(Br)s1
InChIInChI=1S/C14H14Br2N2O2S2/c15-11-5-3-9(21-11)13(19)17-7-1-2-8-18-14(20)10-4-6-12(16)22-10/h3-6H,1-2,7-8H2,(H,17,19)(H,18,20)
InChIKeyUKAAPFRAXVBCDC-UHFFFAOYSA-N
XLogP4.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.22
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-bromo-N-[4-[(5-bromothiophene-2-carbonyl)amino]butyl]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-bromo-N-[4-[(5-bromothiophene-2-carbonyl)amino]butyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-[(5-bromothiophene-2-carbonyl)amino]butyl]thiophene-2-carboxamide (CID 2309203) is 5-bromo-N-[4-[(5-bromothiophene-2-carbonyl)amino]butyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-[(5-bromothiophene-2-carbonyl)amino]butyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-[(5-bromothiophene-2-carbonyl)amino]butyl]thiophene-2-carboxamide is O=C(NCCCCNC(=O)c1ccc(Br)s1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[4-[(5-bromothiophene-2-carbonyl)amino]butyl]thiophene-2-carboxamide?
The InChIKey is UKAAPFRAXVBCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2N2O2S2/c15-11-5-3-9(21-11)13(19)17-7-1-2-8-18-14(20)10-4-6-12(16)22-10/h3-6H,1-2,7-8H2,(H,17,19)(H,18,20).
What are the key properties of 5-bromo-N-[4-[(5-bromothiophene-2-carbonyl)amino]butyl]thiophene-2-carboxamide?
5-bromo-N-[4-[(5-bromothiophene-2-carbonyl)amino]butyl]thiophene-2-carboxamide has a molecular weight of 466.22 g/mol, XLogP of 4.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-[(5-bromothiophene-2-carbonyl)amino]butyl]thiophene-2-carboxamide is sourced from PubChem (CID 2309203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).