2,5-dibromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene-3-carboxamide

C13H17Br2NOS — CID 107962287

IUPAC2,5-dibromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene-3-carboxamide
SMILESCC1(C)C(CNC(=O)c2cc(Br)sc2Br)C1(C)C
InChIInChI=1S/C13H17Br2NOS/c1-12(2)8(13(12,3)4)6-16-11(17)7-5-9(14)18-10(7)15/h5,8H,6H2,1-4H3,(H,16,17)
InChIKeyDJFAEHZITGKHEF-UHFFFAOYSA-N
MW395.16 g/mol
LogP4.69
Rot. Bonds3

About 2,5-dibromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene-3-carboxamide

2,5-dibromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene-3-carboxamide (PubChem CID 107962287) has the molecular formula C13H17Br2NOS and a molecular weight of 395.16 g/mol. Its IUPAC name is 2,5-dibromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dibromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene-3-carboxamide
PubChem CID107962287
Molecular FormulaC13H17Br2NOS
Molecular Weight395.16 g/mol
Exact Mass392.94
IUPAC Name2,5-dibromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene-3-carboxamide
SMILESCC1(C)C(CNC(=O)c2cc(Br)sc2Br)C1(C)C
InChIInChI=1S/C13H17Br2NOS/c1-12(2)8(13(12,3)4)6-16-11(17)7-5-9(14)18-10(7)15/h5,8H,6H2,1-4H3,(H,16,17)
InChIKeyDJFAEHZITGKHEF-UHFFFAOYSA-N
XLogP4.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.16
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,5-dibromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(2,5-dibromothiophene-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 107949287
2,5-dibromo-N-(4-hydroxybutyl)thiophene-3-carboxamide
CID 107168288
2,5-dibromo-N-[[2-(hydroxymethyl)cyclohexyl]methyl]thiophene-3-carboxamide
CID 114021315
N-(2-amino-2-oxoethyl)-2,5-dibromothiophene-3-carboxamide
CID 103673208
2,5-dibromo-N-(4-iodobutyl)thiophene-3-carboxamide
CID 107966422
5-bromo-2-iodo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
CID 114033241
2,5-dibromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]thiophene-3-carboxamide
CID 107962266
2,5-dibromo-N-[2-methyl-3-(methylamino)propyl]thiophene-3-carboxamide
CID 103806921
2,5-dibromo-N-[(1-cyclopropylcyclopropyl)methyl]thiophene-3-carboxamide
CID 103839382
2,5-dibromo-N-(2,6-dibromo-4-methylphenyl)thiophene-3-carboxamide
CID 114021285
5-[[(2,5-dibromothiophene-3-carbonyl)amino]methyl]oxolane-2-carboxylic acid
CID 107949352
2,5-dibromo-N-but-3-enylthiophene-3-carboxamide
CID 107962345

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene-3-carboxamide?
The IUPAC name of 2,5-dibromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene-3-carboxamide (CID 107962287) is 2,5-dibromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dibromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene-3-carboxamide?
The canonical SMILES for 2,5-dibromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene-3-carboxamide is CC1(C)C(CNC(=O)c2cc(Br)sc2Br)C1(C)C.
What is the InChIKey of 2,5-dibromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene-3-carboxamide?
The InChIKey is DJFAEHZITGKHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Br2NOS/c1-12(2)8(13(12,3)4)6-16-11(17)7-5-9(14)18-10(7)15/h5,8H,6H2,1-4H3,(H,16,17).
What are the key properties of 2,5-dibromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene-3-carboxamide?
2,5-dibromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene-3-carboxamide has a molecular weight of 395.16 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 107962287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).