2,5-dibromo-N-[2-(2-hydroxyethoxy)ethyl]thiophene-3-carboxamide

C9H11Br2NO3S — CID 103824764

IUPAC2,5-dibromo-N-[2-(2-hydroxyethoxy)ethyl]thiophene-3-carboxamide
SMILESO=C(NCCOCCO)c1cc(Br)sc1Br
InChIInChI=1S/C9H11Br2NO3S/c10-7-5-6(8(11)16-7)9(14)12-1-3-15-4-2-13/h5,13H,1-4H2,(H,12,14)
InChIKeySXDMHMHEXJCHLV-UHFFFAOYSA-N
MW373.07 g/mol
LogP2.01
Rot. Bonds6

About 2,5-dibromo-N-[2-(2-hydroxyethoxy)ethyl]thiophene-3-carboxamide

2,5-dibromo-N-[2-(2-hydroxyethoxy)ethyl]thiophene-3-carboxamide (PubChem CID 103824764) has the molecular formula C9H11Br2NO3S and a molecular weight of 373.07 g/mol. Its IUPAC name is 2,5-dibromo-N-[2-(2-hydroxyethoxy)ethyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dibromo-N-[2-(2-hydroxyethoxy)ethyl]thiophene-3-carboxamide
PubChem CID103824764
Molecular FormulaC9H11Br2NO3S
Molecular Weight373.07 g/mol
Exact Mass370.88
IUPAC Name2,5-dibromo-N-[2-(2-hydroxyethoxy)ethyl]thiophene-3-carboxamide
SMILESO=C(NCCOCCO)c1cc(Br)sc1Br
InChIInChI=1S/C9H11Br2NO3S/c10-7-5-6(8(11)16-7)9(14)12-1-3-15-4-2-13/h5,13H,1-4H2,(H,12,14)
InChIKeySXDMHMHEXJCHLV-UHFFFAOYSA-N
XLogP2.01
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.07
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,5-dibromo-N-(4-hydroxybutyl)thiophene-3-carboxamide
CID 107168288
N-[2-(2-hydroxyethoxy)ethyl]-2,5-dimethylthiophene-3-carboxamide
CID 60682341
2,5-dibromo-N-[2-(3-hydroxypropylsulfanyl)ethyl]thiophene-3-carboxamide
CID 113264618
2,5-dibromo-N-(4-iodobutyl)thiophene-3-carboxamide
CID 107966422
2,5-dibromo-N-but-3-enylthiophene-3-carboxamide
CID 107962345
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-hex-5-ynylthiophene-3-carboxamide
CID 103757999
2-chloro-N-[2-(2-hydroxyethoxy)ethyl]-5-sulfanylbenzamide
CID 107028417
2,5-dibromo-N-[3-(2-hydroxyethoxy)propyl]benzamide
CID 104920678
2,5-dibromo-N-(5,5,5-trifluoropentyl)thiophene-3-carboxamide
CID 103839434
4-[2-[(2,5-dibromothiophene-3-carbonyl)amino]ethyl]benzoic acid
CID 103790121

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-[2-(2-hydroxyethoxy)ethyl]thiophene-3-carboxamide?
The IUPAC name of 2,5-dibromo-N-[2-(2-hydroxyethoxy)ethyl]thiophene-3-carboxamide (CID 103824764) is 2,5-dibromo-N-[2-(2-hydroxyethoxy)ethyl]thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dibromo-N-[2-(2-hydroxyethoxy)ethyl]thiophene-3-carboxamide?
The canonical SMILES for 2,5-dibromo-N-[2-(2-hydroxyethoxy)ethyl]thiophene-3-carboxamide is O=C(NCCOCCO)c1cc(Br)sc1Br.
What is the InChIKey of 2,5-dibromo-N-[2-(2-hydroxyethoxy)ethyl]thiophene-3-carboxamide?
The InChIKey is SXDMHMHEXJCHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Br2NO3S/c10-7-5-6(8(11)16-7)9(14)12-1-3-15-4-2-13/h5,13H,1-4H2,(H,12,14).
What are the key properties of 2,5-dibromo-N-[2-(2-hydroxyethoxy)ethyl]thiophene-3-carboxamide?
2,5-dibromo-N-[2-(2-hydroxyethoxy)ethyl]thiophene-3-carboxamide has a molecular weight of 373.07 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-[2-(2-hydroxyethoxy)ethyl]thiophene-3-carboxamide is sourced from PubChem (CID 103824764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).