2,5-dibromo-N-(4-hydroxybutyl)thiophene-3-carboxamide

C9H11Br2NO2S — CID 107168288

IUPAC2,5-dibromo-N-(4-hydroxybutyl)thiophene-3-carboxamide
SMILESO=C(NCCCCO)c1cc(Br)sc1Br
InChIInChI=1S/C9H11Br2NO2S/c10-7-5-6(8(11)15-7)9(14)12-3-1-2-4-13/h5,13H,1-4H2,(H,12,14)
InChIKeyQGOJYHKMIZCWHX-UHFFFAOYSA-N
MW357.07 g/mol
LogP2.78
Rot. Bonds5

About 2,5-dibromo-N-(4-hydroxybutyl)thiophene-3-carboxamide

2,5-dibromo-N-(4-hydroxybutyl)thiophene-3-carboxamide (PubChem CID 107168288) has the molecular formula C9H11Br2NO2S and a molecular weight of 357.07 g/mol. Its IUPAC name is 2,5-dibromo-N-(4-hydroxybutyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dibromo-N-(4-hydroxybutyl)thiophene-3-carboxamide
PubChem CID107168288
Molecular FormulaC9H11Br2NO2S
Molecular Weight357.07 g/mol
Exact Mass354.89
IUPAC Name2,5-dibromo-N-(4-hydroxybutyl)thiophene-3-carboxamide
SMILESO=C(NCCCCO)c1cc(Br)sc1Br
InChIInChI=1S/C9H11Br2NO2S/c10-7-5-6(8(11)15-7)9(14)12-3-1-2-4-13/h5,13H,1-4H2,(H,12,14)
InChIKeyQGOJYHKMIZCWHX-UHFFFAOYSA-N
XLogP2.78
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.07
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-dibromo-N-(4-iodobutyl)thiophene-3-carboxamide
CID 107966422
2,5-dibromo-N-[2-(3-hydroxypropylsulfanyl)ethyl]thiophene-3-carboxamide
CID 113264618
2,5-dibromo-N-(5,5,5-trifluoropentyl)thiophene-3-carboxamide
CID 103839434
2,5-dibromo-N-hex-5-ynylthiophene-3-carboxamide
CID 103757999
2,5-dibromo-N-[2-(2-hydroxyethoxy)ethyl]thiophene-3-carboxamide
CID 103824764
2,5-dibromo-N-but-3-enylthiophene-3-carboxamide
CID 107962345
4-[2-[(2,5-dibromothiophene-3-carbonyl)amino]ethyl]benzoic acid
CID 103790121
N-(2-amino-2-oxoethyl)-2,5-dibromothiophene-3-carboxamide
CID 103673208
2,5-dibromo-N-[2-(dimethylsulfamoyl)ethyl]thiophene-3-carboxamide
CID 106339469
2,5-dibromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene-3-carboxamide
CID 107962287
2,5-dichloro-N-(6-hydroxyhexyl)thiophene-3-carboxamide
CID 103919609
4-bromo-2-fluoro-N-(4-hydroxybutyl)benzamide
CID 106842307

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(4-hydroxybutyl)thiophene-3-carboxamide?
The IUPAC name of 2,5-dibromo-N-(4-hydroxybutyl)thiophene-3-carboxamide (CID 107168288) is 2,5-dibromo-N-(4-hydroxybutyl)thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dibromo-N-(4-hydroxybutyl)thiophene-3-carboxamide?
The canonical SMILES for 2,5-dibromo-N-(4-hydroxybutyl)thiophene-3-carboxamide is O=C(NCCCCO)c1cc(Br)sc1Br.
What is the InChIKey of 2,5-dibromo-N-(4-hydroxybutyl)thiophene-3-carboxamide?
The InChIKey is QGOJYHKMIZCWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Br2NO2S/c10-7-5-6(8(11)15-7)9(14)12-3-1-2-4-13/h5,13H,1-4H2,(H,12,14).
What are the key properties of 2,5-dibromo-N-(4-hydroxybutyl)thiophene-3-carboxamide?
2,5-dibromo-N-(4-hydroxybutyl)thiophene-3-carboxamide has a molecular weight of 357.07 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(4-hydroxybutyl)thiophene-3-carboxamide is sourced from PubChem (CID 107168288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).