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

C10H13BrClNOS — CID 114305407

IUPAC5-bromo-N-(1-chloro-3-methylbutan-2-yl)thiophene-2-carboxamide
SMILESCC(C)C(CCl)NC(=O)c1ccc(Br)s1
InChIInChI=1S/C10H13BrClNOS/c1-6(2)7(5-12)13-10(14)8-3-4-9(11)15-8/h3-4,6-7H,5H2,1-2H3,(H,13,14)
InChIKeySNQWSJDIPAYRAN-UHFFFAOYSA-N
MW310.64 g/mol
LogP3.50
Rot. Bonds4

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

5-bromo-N-(1-chloro-3-methylbutan-2-yl)thiophene-2-carboxamide (PubChem CID 114305407) has the molecular formula C10H13BrClNOS and a molecular weight of 310.64 g/mol. Its IUPAC name is 5-bromo-N-(1-chloro-3-methylbutan-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1-chloro-3-methylbutan-2-yl)thiophene-2-carboxamide
PubChem CID114305407
Molecular FormulaC10H13BrClNOS
Molecular Weight310.64 g/mol
Exact Mass308.96
IUPAC Name5-bromo-N-(1-chloro-3-methylbutan-2-yl)thiophene-2-carboxamide
SMILESCC(C)C(CCl)NC(=O)c1ccc(Br)s1
InChIInChI=1S/C10H13BrClNOS/c1-6(2)7(5-12)13-10(14)8-3-4-9(11)15-8/h3-4,6-7H,5H2,1-2H3,(H,13,14)
InChIKeySNQWSJDIPAYRAN-UHFFFAOYSA-N
XLogP3.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.64
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(1-bromo-4-methylpentan-3-yl)thiophene-2-carboxamide
CID 106355067
5-bromo-N-(3-oxobutan-2-yl)thiophene-2-carboxamide
CID 64997082
5-bromo-N-(1-cyanoethyl)thiophene-2-carboxamide
CID 61121832
5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-2-carboxamide
CID 61247480
5-bromo-N-[(2S)-1-hydroxybutan-2-yl]thiophene-2-carboxamide
CID 104981493
5-bromo-N-[1-(4-bromophenyl)ethyl]thiophene-2-carboxamide
CID 47097752
N-(1-aminobutan-2-yl)-5-bromothiophene-2-carboxamide
CID 65193455
5-bromo-N-(2-methylpropoxy)thiophene-2-carboxamide
CID 115409767
5-bromo-N-[1-(4-bromophenyl)propan-2-yl]thiophene-2-carboxamide
CID 47210807
N-[1-(2-aminoethylamino)-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride
CID 119384927
2-[(5-bromothiophene-2-carbonyl)amino]butanedioic acid
CID 78910337
5-bromo-N-(3-bromo-2-methylpropyl)thiophene-2-carboxamide
CID 114313311

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-chloro-3-methylbutan-2-yl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(1-chloro-3-methylbutan-2-yl)thiophene-2-carboxamide (CID 114305407) is 5-bromo-N-(1-chloro-3-methylbutan-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(1-chloro-3-methylbutan-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(1-chloro-3-methylbutan-2-yl)thiophene-2-carboxamide is CC(C)C(CCl)NC(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(1-chloro-3-methylbutan-2-yl)thiophene-2-carboxamide?
The InChIKey is SNQWSJDIPAYRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClNOS/c1-6(2)7(5-12)13-10(14)8-3-4-9(11)15-8/h3-4,6-7H,5H2,1-2H3,(H,13,14).
What are the key properties of 5-bromo-N-(1-chloro-3-methylbutan-2-yl)thiophene-2-carboxamide?
5-bromo-N-(1-chloro-3-methylbutan-2-yl)thiophene-2-carboxamide has a molecular weight of 310.64 g/mol, XLogP of 3.50, 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-chloro-3-methylbutan-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 114305407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).