N-(1-bromo-3-methylbutan-2-yl)-3-chlorothiophene-2-carboxamide

C10H13BrClNOS — CID 114316213

IUPACN-(1-bromo-3-methylbutan-2-yl)-3-chlorothiophene-2-carboxamide
SMILESCC(C)C(CBr)NC(=O)c1sccc1Cl
InChIInChI=1S/C10H13BrClNOS/c1-6(2)8(5-11)13-10(14)9-7(12)3-4-15-9/h3-4,6,8H,5H2,1-2H3,(H,13,14)
InChIKeyOPGDRGASIFTTEG-UHFFFAOYSA-N
MW310.64 g/mol
LogP3.55
Rot. Bonds4

About N-(1-bromo-3-methylbutan-2-yl)-3-chlorothiophene-2-carboxamide

N-(1-bromo-3-methylbutan-2-yl)-3-chlorothiophene-2-carboxamide (PubChem CID 114316213) has the molecular formula C10H13BrClNOS and a molecular weight of 310.64 g/mol. Its IUPAC name is N-(1-bromo-3-methylbutan-2-yl)-3-chlorothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-bromo-3-methylbutan-2-yl)-3-chlorothiophene-2-carboxamide
PubChem CID114316213
Molecular FormulaC10H13BrClNOS
Molecular Weight310.64 g/mol
Exact Mass308.96
IUPAC NameN-(1-bromo-3-methylbutan-2-yl)-3-chlorothiophene-2-carboxamide
SMILESCC(C)C(CBr)NC(=O)c1sccc1Cl
InChIInChI=1S/C10H13BrClNOS/c1-6(2)8(5-11)13-10(14)9-7(12)3-4-15-9/h3-4,6,8H,5H2,1-2H3,(H,13,14)
InChIKeyOPGDRGASIFTTEG-UHFFFAOYSA-N
XLogP3.55
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 ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(1-bromo-3-methylbutan-2-yl)-3-chlorothiophene-2-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

3-chloro-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-carboxamide
CID 80642584
N-(1-bromo-3-methylbutan-2-yl)-3-chloro-4-methylthiophene-2-carboxamide
CID 103406104
3-chloro-N-(4-hydroxybutan-2-yl)thiophene-2-carboxamide
CID 83186616
4-[(3-chlorothiophene-2-carbonyl)amino]pentanoic acid
CID 80645329
methyl 2-[(3-chlorothiophene-2-carbonyl)amino]-3-methylbutanoate
CID 80641746
N-(1-bromo-4-methylpentan-3-yl)-3-methylthiophene-2-carboxamide
CID 106355164
3-bromo-N-(1-chloro-4-methylpentan-3-yl)thiophene-2-carboxamide
CID 106354869
N-(3-bromopropyl)-3-chlorothiophene-2-carboxamide
CID 80641343
(2S)-2-[(3-chlorothiophene-2-carbonyl)amino]pentanoic acid
CID 107564389
diethyl 2-[(3-chlorothiophene-2-carbonyl)amino]propanedioate
CID 80642748
4-[(3-chlorothiophene-2-carbonyl)amino]-3-methylbutanoic acid
CID 81063453
N-(1-bromo-3-methylbutan-2-yl)-3,5-dichlorobenzamide
CID 114316290

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-3-methylbutan-2-yl)-3-chlorothiophene-2-carboxamide?
The IUPAC name of N-(1-bromo-3-methylbutan-2-yl)-3-chlorothiophene-2-carboxamide (CID 114316213) is N-(1-bromo-3-methylbutan-2-yl)-3-chlorothiophene-2-carboxamide.
What is the SMILES notation for N-(1-bromo-3-methylbutan-2-yl)-3-chlorothiophene-2-carboxamide?
The canonical SMILES for N-(1-bromo-3-methylbutan-2-yl)-3-chlorothiophene-2-carboxamide is CC(C)C(CBr)NC(=O)c1sccc1Cl.
What is the InChIKey of N-(1-bromo-3-methylbutan-2-yl)-3-chlorothiophene-2-carboxamide?
The InChIKey is OPGDRGASIFTTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClNOS/c1-6(2)8(5-11)13-10(14)9-7(12)3-4-15-9/h3-4,6,8H,5H2,1-2H3,(H,13,14).
What are the key properties of N-(1-bromo-3-methylbutan-2-yl)-3-chlorothiophene-2-carboxamide?
N-(1-bromo-3-methylbutan-2-yl)-3-chlorothiophene-2-carboxamide has a molecular weight of 310.64 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-3-methylbutan-2-yl)-3-chlorothiophene-2-carboxamide is sourced from PubChem (CID 114316213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).