2,5-dibromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)thiophene-3-carboxamide

C11H13Br2NO2S — CID 104956536

IUPAC2,5-dibromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)thiophene-3-carboxamide
SMILESCC1(C)C(O)CC1NC(=O)c1cc(Br)sc1Br
InChIInChI=1S/C11H13Br2NO2S/c1-11(2)6(4-7(11)15)14-10(16)5-3-8(12)17-9(5)13/h3,6-7,15H,4H2,1-2H3,(H,14,16)
InChIKeyUINLJNKTPDSGDL-UHFFFAOYSA-N
MW383.11 g/mol
LogP3.16
Rot. Bonds2

About 2,5-dibromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)thiophene-3-carboxamide

2,5-dibromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)thiophene-3-carboxamide (PubChem CID 104956536) has the molecular formula C11H13Br2NO2S and a molecular weight of 383.11 g/mol. Its IUPAC name is 2,5-dibromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dibromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)thiophene-3-carboxamide
PubChem CID104956536
Molecular FormulaC11H13Br2NO2S
Molecular Weight383.11 g/mol
Exact Mass380.90
IUPAC Name2,5-dibromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)thiophene-3-carboxamide
SMILESCC1(C)C(O)CC1NC(=O)c1cc(Br)sc1Br
InChIInChI=1S/C11H13Br2NO2S/c1-11(2)6(4-7(11)15)14-10(16)5-3-8(12)17-9(5)13/h3,6-7,15H,4H2,1-2H3,(H,14,16)
InChIKeyUINLJNKTPDSGDL-UHFFFAOYSA-N
XLogP3.16
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.11
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)thiophene-3-carboxamide?
The IUPAC name of 2,5-dibromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)thiophene-3-carboxamide (CID 104956536) is 2,5-dibromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dibromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)thiophene-3-carboxamide?
The canonical SMILES for 2,5-dibromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)thiophene-3-carboxamide is CC1(C)C(O)CC1NC(=O)c1cc(Br)sc1Br.
What is the InChIKey of 2,5-dibromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)thiophene-3-carboxamide?
The InChIKey is UINLJNKTPDSGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br2NO2S/c1-11(2)6(4-7(11)15)14-10(16)5-3-8(12)17-9(5)13/h3,6-7,15H,4H2,1-2H3,(H,14,16).
What are the key properties of 2,5-dibromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)thiophene-3-carboxamide?
2,5-dibromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)thiophene-3-carboxamide has a molecular weight of 383.11 g/mol, XLogP of 3.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)thiophene-3-carboxamide is sourced from PubChem (CID 104956536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).