5-bromo-N-(2-chloropropyl)-4-methylthiophene-2-carboxamide

C9H11BrClNOS — CID 114296326

IUPAC5-bromo-N-(2-chloropropyl)-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NCC(C)Cl)sc1Br
InChIInChI=1S/C9H11BrClNOS/c1-5-3-7(14-8(5)10)9(13)12-4-6(2)11/h3,6H,4H2,1-2H3,(H,12,13)
InChIKeyCXOLSEJEBZTMTK-UHFFFAOYSA-N
MW296.62 g/mol
LogP3.18
Rot. Bonds3

About 5-bromo-N-(2-chloropropyl)-4-methylthiophene-2-carboxamide

5-bromo-N-(2-chloropropyl)-4-methylthiophene-2-carboxamide (PubChem CID 114296326) has the molecular formula C9H11BrClNOS and a molecular weight of 296.62 g/mol. Its IUPAC name is 5-bromo-N-(2-chloropropyl)-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-chloropropyl)-4-methylthiophene-2-carboxamide
PubChem CID114296326
Molecular FormulaC9H11BrClNOS
Molecular Weight296.62 g/mol
Exact Mass294.94
IUPAC Name5-bromo-N-(2-chloropropyl)-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NCC(C)Cl)sc1Br
InChIInChI=1S/C9H11BrClNOS/c1-5-3-7(14-8(5)10)9(13)12-4-6(2)11/h3,6H,4H2,1-2H3,(H,12,13)
InChIKeyCXOLSEJEBZTMTK-UHFFFAOYSA-N
XLogP3.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.62
LogP ≤ 53.18
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-(2-bromopropyl)-4-methylthiophene-2-carboxamide
CID 114308613
N-(2-chloropropyl)-4,5-dimethylthiophene-2-carboxamide
CID 114296674
5-bromo-N-(2,2-dimethoxyethyl)-4-methylthiophene-2-carboxamide
CID 79989675
5-bromo-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylthiophene-2-carboxamide
CID 79964067
5-bromo-N-(3-chloro-2,2-dimethylpropyl)-4-methylthiophene-2-carboxamide
CID 115364639
5-bromo-4-methyl-N-[(4-propan-2-ylphenyl)methyl]thiophene-2-carboxamide
CID 79986981
5-bromo-N-(4-bromobutan-2-yl)-4-methylthiophene-2-carboxamide
CID 83178239
N-[(2S)-1-aminopropan-2-yl]-5-bromo-4-methylthiophene-2-carboxamide;hydrochloride
CID 130662551
5-bromo-N-(4-hydroxy-2,2-dimethylbutyl)-4-methylthiophene-2-carboxamide
CID 103825053
3-[(5-bromo-4-methylthiophene-2-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 115427108
2-[2-[[(5-bromo-4-methylthiophene-2-carbonyl)amino]methyl]phenyl]acetic acid
CID 81313381
5-bromo-4-methyl-N-[3-(2-methylpropoxy)propyl]thiophene-2-carboxamide
CID 79964430

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-chloropropyl)-4-methylthiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-chloropropyl)-4-methylthiophene-2-carboxamide (CID 114296326) is 5-bromo-N-(2-chloropropyl)-4-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-chloropropyl)-4-methylthiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-chloropropyl)-4-methylthiophene-2-carboxamide is Cc1cc(C(=O)NCC(C)Cl)sc1Br.
What is the InChIKey of 5-bromo-N-(2-chloropropyl)-4-methylthiophene-2-carboxamide?
The InChIKey is CXOLSEJEBZTMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClNOS/c1-5-3-7(14-8(5)10)9(13)12-4-6(2)11/h3,6H,4H2,1-2H3,(H,12,13).
What are the key properties of 5-bromo-N-(2-chloropropyl)-4-methylthiophene-2-carboxamide?
5-bromo-N-(2-chloropropyl)-4-methylthiophene-2-carboxamide has a molecular weight of 296.62 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-chloropropyl)-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 114296326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).