5-bromo-N-(3-chloro-2,2-dimethylpropyl)-4-methylthiophene-2-carboxamide

C11H15BrClNOS — CID 115364639

IUPAC5-bromo-N-(3-chloro-2,2-dimethylpropyl)-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NCC(C)(C)CCl)sc1Br
InChIInChI=1S/C11H15BrClNOS/c1-7-4-8(16-9(7)12)10(15)14-6-11(2,3)5-13/h4H,5-6H2,1-3H3,(H,14,15)
InChIKeyAOYSHNNNDHIZMP-UHFFFAOYSA-N
MW324.67 g/mol
LogP3.81
Rot. Bonds4

About 5-bromo-N-(3-chloro-2,2-dimethylpropyl)-4-methylthiophene-2-carboxamide

5-bromo-N-(3-chloro-2,2-dimethylpropyl)-4-methylthiophene-2-carboxamide (PubChem CID 115364639) has the molecular formula C11H15BrClNOS and a molecular weight of 324.67 g/mol. Its IUPAC name is 5-bromo-N-(3-chloro-2,2-dimethylpropyl)-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3-chloro-2,2-dimethylpropyl)-4-methylthiophene-2-carboxamide
PubChem CID115364639
Molecular FormulaC11H15BrClNOS
Molecular Weight324.67 g/mol
Exact Mass322.97
IUPAC Name5-bromo-N-(3-chloro-2,2-dimethylpropyl)-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NCC(C)(C)CCl)sc1Br
InChIInChI=1S/C11H15BrClNOS/c1-7-4-8(16-9(7)12)10(15)14-6-11(2,3)5-13/h4H,5-6H2,1-3H3,(H,14,15)
InChIKeyAOYSHNNNDHIZMP-UHFFFAOYSA-N
XLogP3.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.67
LogP ≤ 53.81
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-(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
5-bromo-4-methyl-N-(2-methyl-2-phenylpropyl)thiophene-2-carboxamide
CID 79986288
5-bromo-N-(2-chloropropyl)-4-methylthiophene-2-carboxamide
CID 114296326
N-(3-chloro-2,2-dimethylpropyl)-5-methylthiophene-2-carboxamide
CID 115364549
5-bromo-N-(2-bromopropyl)-4-methylthiophene-2-carboxamide
CID 114308613
5-bromo-N-(1-hydroxy-3-methylpentan-3-yl)-4-methylthiophene-2-carboxamide
CID 113356537
4-bromo-N-(3-chloro-2,2-dimethylpropyl)-2-methylbenzamide
CID 115364523
5-bromo-N-(3-chloro-2,2-dimethylpropyl)-2-methylbenzamide
CID 115364480
5-bromo-N-(2,2-dimethoxyethyl)-4-methylthiophene-2-carboxamide
CID 79989675
5-bromo-4-methyl-N-(5,5,5-trifluoropentyl)thiophene-2-carboxamide
CID 115491639
5-bromo-4-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)thiophene-2-carboxamide
CID 115683330

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-chloro-2,2-dimethylpropyl)-4-methylthiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(3-chloro-2,2-dimethylpropyl)-4-methylthiophene-2-carboxamide (CID 115364639) is 5-bromo-N-(3-chloro-2,2-dimethylpropyl)-4-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(3-chloro-2,2-dimethylpropyl)-4-methylthiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(3-chloro-2,2-dimethylpropyl)-4-methylthiophene-2-carboxamide is Cc1cc(C(=O)NCC(C)(C)CCl)sc1Br.
What is the InChIKey of 5-bromo-N-(3-chloro-2,2-dimethylpropyl)-4-methylthiophene-2-carboxamide?
The InChIKey is AOYSHNNNDHIZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClNOS/c1-7-4-8(16-9(7)12)10(15)14-6-11(2,3)5-13/h4H,5-6H2,1-3H3,(H,14,15).
What are the key properties of 5-bromo-N-(3-chloro-2,2-dimethylpropyl)-4-methylthiophene-2-carboxamide?
5-bromo-N-(3-chloro-2,2-dimethylpropyl)-4-methylthiophene-2-carboxamide has a molecular weight of 324.67 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-chloro-2,2-dimethylpropyl)-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 115364639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).