N-(4-bromobutyl)-5-iodothiophene-3-carboxamide

C9H11BrINOS — CID 106845793

IUPACN-(4-bromobutyl)-5-iodothiophene-3-carboxamide
SMILESO=C(NCCCCBr)c1csc(I)c1
InChIInChI=1S/C9H11BrINOS/c10-3-1-2-4-12-9(13)7-5-8(11)14-6-7/h5-6H,1-4H2,(H,12,13)
InChIKeyBDUKZSXRTVPIHQ-UHFFFAOYSA-N
MW388.07 g/mol
LogP3.26
Rot. Bonds5

About N-(4-bromobutyl)-5-iodothiophene-3-carboxamide

N-(4-bromobutyl)-5-iodothiophene-3-carboxamide (PubChem CID 106845793) has the molecular formula C9H11BrINOS and a molecular weight of 388.07 g/mol. Its IUPAC name is N-(4-bromobutyl)-5-iodothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromobutyl)-5-iodothiophene-3-carboxamide
PubChem CID106845793
Molecular FormulaC9H11BrINOS
Molecular Weight388.07 g/mol
Exact Mass386.88
IUPAC NameN-(4-bromobutyl)-5-iodothiophene-3-carboxamide
SMILESO=C(NCCCCBr)c1csc(I)c1
InChIInChI=1S/C9H11BrINOS/c10-3-1-2-4-12-9(13)7-5-8(11)14-6-7/h5-6H,1-4H2,(H,12,13)
InChIKeyBDUKZSXRTVPIHQ-UHFFFAOYSA-N
XLogP3.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.07
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-bromobutyl)-5-iodothiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-bromopropyl)-5-iodothiophene-3-carboxamide
CID 79693807
methyl 4-[(5-iodothiophene-3-carbonyl)amino]butanoate
CID 78950176
5-iodo-N-(3-methylsulfonylpropyl)thiophene-3-carboxamide
CID 78949717
N-[2-(cyclopropanecarbonylamino)ethyl]-5-iodothiophene-3-carboxamide
CID 115618086
N-but-3-ynyl-5-iodothiophene-3-carboxamide
CID 78960026
5-iodo-N-(2-sulfamoylethyl)thiophene-3-carboxamide
CID 78950626
5-iodo-N-[3-(methylamino)-3-oxopropyl]thiophene-3-carboxamide
CID 78949941
N-(3-hydroxybutyl)-5-iodothiophene-3-carboxamide
CID 78995528
5-iodo-N-[3-(2-methylpropoxy)propyl]thiophene-3-carboxamide
CID 78949637
5-iodo-N-(2-oxopropyl)thiophene-3-carboxamide
CID 79692764
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-iodothiophene-3-carboxamide
CID 78949506
5-iodo-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-3-carboxamide
CID 78948417

Frequently Asked Questions

What is the IUPAC name of N-(4-bromobutyl)-5-iodothiophene-3-carboxamide?
The IUPAC name of N-(4-bromobutyl)-5-iodothiophene-3-carboxamide (CID 106845793) is N-(4-bromobutyl)-5-iodothiophene-3-carboxamide.
What is the SMILES notation for N-(4-bromobutyl)-5-iodothiophene-3-carboxamide?
The canonical SMILES for N-(4-bromobutyl)-5-iodothiophene-3-carboxamide is O=C(NCCCCBr)c1csc(I)c1.
What is the InChIKey of N-(4-bromobutyl)-5-iodothiophene-3-carboxamide?
The InChIKey is BDUKZSXRTVPIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrINOS/c10-3-1-2-4-12-9(13)7-5-8(11)14-6-7/h5-6H,1-4H2,(H,12,13).
What are the key properties of N-(4-bromobutyl)-5-iodothiophene-3-carboxamide?
N-(4-bromobutyl)-5-iodothiophene-3-carboxamide has a molecular weight of 388.07 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromobutyl)-5-iodothiophene-3-carboxamide is sourced from PubChem (CID 106845793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).