N-(3-bromopropyl)-5-iodothiophene-3-carboxamide

C8H9BrINOS — CID 79693807

IUPACN-(3-bromopropyl)-5-iodothiophene-3-carboxamide
SMILESO=C(NCCCBr)c1csc(I)c1
InChIInChI=1S/C8H9BrINOS/c9-2-1-3-11-8(12)6-4-7(10)13-5-6/h4-5H,1-3H2,(H,11,12)
InChIKeyLHBTVAOVEFQOFD-UHFFFAOYSA-N
MW374.04 g/mol
LogP2.87
Rot. Bonds4

About N-(3-bromopropyl)-5-iodothiophene-3-carboxamide

N-(3-bromopropyl)-5-iodothiophene-3-carboxamide (PubChem CID 79693807) has the molecular formula C8H9BrINOS and a molecular weight of 374.04 g/mol. Its IUPAC name is N-(3-bromopropyl)-5-iodothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromopropyl)-5-iodothiophene-3-carboxamide
PubChem CID79693807
Molecular FormulaC8H9BrINOS
Molecular Weight374.04 g/mol
Exact Mass372.86
IUPAC NameN-(3-bromopropyl)-5-iodothiophene-3-carboxamide
SMILESO=C(NCCCBr)c1csc(I)c1
InChIInChI=1S/C8H9BrINOS/c9-2-1-3-11-8(12)6-4-7(10)13-5-6/h4-5H,1-3H2,(H,11,12)
InChIKeyLHBTVAOVEFQOFD-UHFFFAOYSA-N
XLogP2.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.04
LogP ≤ 52.87
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'}

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Related Compounds

N-(4-bromobutyl)-5-iodothiophene-3-carboxamide
CID 106845793
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-(3-bromopropyl)-5-iodothiophene-3-carboxamide?
The IUPAC name of N-(3-bromopropyl)-5-iodothiophene-3-carboxamide (CID 79693807) is N-(3-bromopropyl)-5-iodothiophene-3-carboxamide.
What is the SMILES notation for N-(3-bromopropyl)-5-iodothiophene-3-carboxamide?
The canonical SMILES for N-(3-bromopropyl)-5-iodothiophene-3-carboxamide is O=C(NCCCBr)c1csc(I)c1.
What is the InChIKey of N-(3-bromopropyl)-5-iodothiophene-3-carboxamide?
The InChIKey is LHBTVAOVEFQOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrINOS/c9-2-1-3-11-8(12)6-4-7(10)13-5-6/h4-5H,1-3H2,(H,11,12).
What are the key properties of N-(3-bromopropyl)-5-iodothiophene-3-carboxamide?
N-(3-bromopropyl)-5-iodothiophene-3-carboxamide has a molecular weight of 374.04 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-5-iodothiophene-3-carboxamide is sourced from PubChem (CID 79693807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).