4,5-dibromo-N-(1-methyl-2,6-dioxopiperidin-3-yl)thiophene-2-carboxamide

C11H10Br2N2O3S — CID 80536565

IUPAC4,5-dibromo-N-(1-methyl-2,6-dioxopiperidin-3-yl)thiophene-2-carboxamide
SMILESCN1C(=O)CCC(NC(=O)c2cc(Br)c(Br)s2)C1=O
InChIInChI=1S/C11H10Br2N2O3S/c1-15-8(16)3-2-6(11(15)18)14-10(17)7-4-5(12)9(13)19-7/h4,6H,2-3H2,1H3,(H,14,17)
InChIKeyCLWHFZJNQYTFKD-UHFFFAOYSA-N
MW410.09 g/mol
LogP2.15
Rot. Bonds2

About 4,5-dibromo-N-(1-methyl-2,6-dioxopiperidin-3-yl)thiophene-2-carboxamide

4,5-dibromo-N-(1-methyl-2,6-dioxopiperidin-3-yl)thiophene-2-carboxamide (PubChem CID 80536565) has the molecular formula C11H10Br2N2O3S and a molecular weight of 410.09 g/mol. Its IUPAC name is 4,5-dibromo-N-(1-methyl-2,6-dioxopiperidin-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-(1-methyl-2,6-dioxopiperidin-3-yl)thiophene-2-carboxamide
PubChem CID80536565
Molecular FormulaC11H10Br2N2O3S
Molecular Weight410.09 g/mol
Exact Mass407.88
IUPAC Name4,5-dibromo-N-(1-methyl-2,6-dioxopiperidin-3-yl)thiophene-2-carboxamide
SMILESCN1C(=O)CCC(NC(=O)c2cc(Br)c(Br)s2)C1=O
InChIInChI=1S/C11H10Br2N2O3S/c1-15-8(16)3-2-6(11(15)18)14-10(17)7-4-5(12)9(13)19-7/h4,6H,2-3H2,1H3,(H,14,17)
InChIKeyCLWHFZJNQYTFKD-UHFFFAOYSA-N
XLogP2.15
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.09
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,5-dibromo-N-(1-methyl-2,6-dioxopiperidin-3-yl)benzamide
CID 114372512
4-bromo-N-(1-methyl-2,6-dioxopiperidin-3-yl)-2-sulfanylbenzamide
CID 107031626
2-chloro-N-(1-methyl-2,6-dioxopiperidin-3-yl)-5-sulfanylbenzamide
CID 107031618
4,5-dibromo-N-cycloheptylthiophene-2-carboxamide
CID 9217766
4-hydroxy-2-methyl-N-(1-methyl-2,6-dioxopiperidin-3-yl)benzamide
CID 107671606
4,5-dibromo-N-(2,3-dimethylcyclopentyl)thiophene-2-carboxamide
CID 80536433
2,3-dihydroxy-N-(1-methyl-2,6-dioxopiperidin-3-yl)benzamide
CID 114344484
4,5-dibromo-N-(1-cyclopropylpiperidin-4-yl)thiophene-2-carboxamide
CID 112725100
2,2-difluoro-N-(1-methyl-2,6-dioxopiperidin-3-yl)acetamide
CID 103515786
4-amino-2-(dimethylamino)-N-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-thiazole-5-carboxamide
CID 116671038
4,5-dibromo-N-piperidin-3-ylthiophene-2-carboxamide
CID 80537940
4,5-dibromo-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
CID 103866520

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-(1-methyl-2,6-dioxopiperidin-3-yl)thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-(1-methyl-2,6-dioxopiperidin-3-yl)thiophene-2-carboxamide (CID 80536565) is 4,5-dibromo-N-(1-methyl-2,6-dioxopiperidin-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-(1-methyl-2,6-dioxopiperidin-3-yl)thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-(1-methyl-2,6-dioxopiperidin-3-yl)thiophene-2-carboxamide is CN1C(=O)CCC(NC(=O)c2cc(Br)c(Br)s2)C1=O.
What is the InChIKey of 4,5-dibromo-N-(1-methyl-2,6-dioxopiperidin-3-yl)thiophene-2-carboxamide?
The InChIKey is CLWHFZJNQYTFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Br2N2O3S/c1-15-8(16)3-2-6(11(15)18)14-10(17)7-4-5(12)9(13)19-7/h4,6H,2-3H2,1H3,(H,14,17).
What are the key properties of 4,5-dibromo-N-(1-methyl-2,6-dioxopiperidin-3-yl)thiophene-2-carboxamide?
4,5-dibromo-N-(1-methyl-2,6-dioxopiperidin-3-yl)thiophene-2-carboxamide has a molecular weight of 410.09 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-(1-methyl-2,6-dioxopiperidin-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 80536565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).