5-bromo-N-(1-iodo-3-methylbutan-2-yl)thiophene-3-carboxamide

C10H13BrINOS — CID 107966482

IUPAC5-bromo-N-(1-iodo-3-methylbutan-2-yl)thiophene-3-carboxamide
SMILESCC(C)C(CI)NC(=O)c1csc(Br)c1
InChIInChI=1S/C10H13BrINOS/c1-6(2)8(4-12)13-10(14)7-3-9(11)15-5-7/h3,5-6,8H,4H2,1-2H3,(H,13,14)
InChIKeyHHJFJTKBSNXDJT-UHFFFAOYSA-N
MW402.10 g/mol
LogP3.70
Rot. Bonds4

About 5-bromo-N-(1-iodo-3-methylbutan-2-yl)thiophene-3-carboxamide

5-bromo-N-(1-iodo-3-methylbutan-2-yl)thiophene-3-carboxamide (PubChem CID 107966482) has the molecular formula C10H13BrINOS and a molecular weight of 402.10 g/mol. Its IUPAC name is 5-bromo-N-(1-iodo-3-methylbutan-2-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1-iodo-3-methylbutan-2-yl)thiophene-3-carboxamide
PubChem CID107966482
Molecular FormulaC10H13BrINOS
Molecular Weight402.10 g/mol
Exact Mass400.89
IUPAC Name5-bromo-N-(1-iodo-3-methylbutan-2-yl)thiophene-3-carboxamide
SMILESCC(C)C(CI)NC(=O)c1csc(Br)c1
InChIInChI=1S/C10H13BrINOS/c1-6(2)8(4-12)13-10(14)7-3-9(11)15-5-7/h3,5-6,8H,4H2,1-2H3,(H,13,14)
InChIKeyHHJFJTKBSNXDJT-UHFFFAOYSA-N
XLogP3.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.10
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(4-bromobutan-2-yl)thiophene-3-carboxamide
CID 107966213
2-[(5-bromothiophene-3-carbonyl)amino]-3-methylbutanoic acid
CID 43354005
N-[(2S)-1-aminopropan-2-yl]-5-bromothiophene-3-carboxamide
CID 120505953
5-bromo-N-(4-hydroxy-3-methylbutan-2-yl)thiophene-3-carboxamide
CID 115734936
5-bromo-N-(4-chlorobutan-2-yl)thiophene-3-carboxamide
CID 107966210
5-bromo-N-(3-oxopentan-2-yl)thiophene-3-carboxamide
CID 107961893
methyl 2-[(5-bromothiophene-3-carbonyl)amino]propanoate
CID 60735474
2-[(5-bromothiophene-3-carbonyl)amino]-4-methylpentanoic acid
CID 43353273
5-bromo-N-[1-(4-bromophenyl)ethyl]thiophene-3-carboxamide
CID 47159789
N-(1-chloro-4-methylpentan-3-yl)-5-iodothiophene-3-carboxamide
CID 106354884
5-bromo-N-(1-ethoxypropan-2-yl)thiophene-3-carboxamide
CID 47901542
5-bromo-N-(2-hydroxypropyl)thiophene-3-carboxamide
CID 43418201

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-iodo-3-methylbutan-2-yl)thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-(1-iodo-3-methylbutan-2-yl)thiophene-3-carboxamide (CID 107966482) is 5-bromo-N-(1-iodo-3-methylbutan-2-yl)thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(1-iodo-3-methylbutan-2-yl)thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-(1-iodo-3-methylbutan-2-yl)thiophene-3-carboxamide is CC(C)C(CI)NC(=O)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-(1-iodo-3-methylbutan-2-yl)thiophene-3-carboxamide?
The InChIKey is HHJFJTKBSNXDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrINOS/c1-6(2)8(4-12)13-10(14)7-3-9(11)15-5-7/h3,5-6,8H,4H2,1-2H3,(H,13,14).
What are the key properties of 5-bromo-N-(1-iodo-3-methylbutan-2-yl)thiophene-3-carboxamide?
5-bromo-N-(1-iodo-3-methylbutan-2-yl)thiophene-3-carboxamide has a molecular weight of 402.10 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-iodo-3-methylbutan-2-yl)thiophene-3-carboxamide is sourced from PubChem (CID 107966482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).