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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Related Compounds

2,5-dibromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
CID 114629951
2-bromo-N-[(1S,3R)-3-hydroxy-2,2-dimethylcyclobutyl]-5-methylbenzamide
CID 129381319
2-bromo-5-fluoro-N-[(1R,3R)-3-hydroxy-2,2-dimethylcyclobutyl]benzamide
CID 124572619
4-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-(trifluoromethyl)benzamide
CID 104956518
5-amino-2,4-difluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
CID 114628200
2-hydroxy-N-(3-hydroxy-2,2-dimethylcyclobutyl)-3,5-diiodobenzamide
CID 114630704
3-bromo-4-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
CID 104956529
3,5-dichloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-iodobenzamide
CID 114630703
2,5-dibromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene-3-carboxamide
CID 107962287
3-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-methoxybenzamide
CID 114629941
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 104956547
3-[(2,5-dibromothiophene-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 103932797

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).