N-(2-bromo-2-cyclopropylethyl)-4-methylthiophene-3-carboxamide

C11H14BrNOS — CID 114315738

IUPACN-(2-bromo-2-cyclopropylethyl)-4-methylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)NCC(Br)C1CC1
InChIInChI=1S/C11H14BrNOS/c1-7-5-15-6-9(7)11(14)13-4-10(12)8-2-3-8/h5-6,8,10H,2-4H2,1H3,(H,13,14)
InChIKeyPHLBIGALNVAVGC-UHFFFAOYSA-N
MW288.21 g/mol
LogP2.96
Rot. Bonds4

About N-(2-bromo-2-cyclopropylethyl)-4-methylthiophene-3-carboxamide

N-(2-bromo-2-cyclopropylethyl)-4-methylthiophene-3-carboxamide (PubChem CID 114315738) has the molecular formula C11H14BrNOS and a molecular weight of 288.21 g/mol. Its IUPAC name is N-(2-bromo-2-cyclopropylethyl)-4-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-2-cyclopropylethyl)-4-methylthiophene-3-carboxamide
PubChem CID114315738
Molecular FormulaC11H14BrNOS
Molecular Weight288.21 g/mol
Exact Mass287.00
IUPAC NameN-(2-bromo-2-cyclopropylethyl)-4-methylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)NCC(Br)C1CC1
InChIInChI=1S/C11H14BrNOS/c1-7-5-15-6-9(7)11(14)13-4-10(12)8-2-3-8/h5-6,8,10H,2-4H2,1H3,(H,13,14)
InChIKeyPHLBIGALNVAVGC-UHFFFAOYSA-N
XLogP2.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.21
LogP ≤ 52.96
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

2-bromo-N-(2-bromo-2-cyclopropylethyl)-3-methylbenzamide
CID 107983998
N-(3-bromo-2-methylpropyl)-4-methylthiophene-3-carboxamide
CID 114313291
N-(2-bromo-2-cyclopropylethyl)-2-methylpyridine-3-carboxamide
CID 114315880
4-methyl-N-[2-(methylamino)propyl]thiophene-3-carboxamide
CID 120831829
N-(2-bromo-2-cyclopropylethyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 114315935
N-(2-bromo-2-cyclopropylethyl)-2-hydroxy-5-methylbenzamide
CID 114315762
N-(2-amino-1-cyclopropylethyl)-4-methylthiophene-3-carboxamide;hydrochloride
CID 119613848
N-(2-bromo-2-cyclopropylethyl)-2-methyl-4-nitrobenzamide
CID 113275982
N-[(2R)-2-(ethylamino)propyl]-4-methylthiophene-3-carboxamide;hydrochloride
CID 120651296
N-(2-bromo-2-cyclopropylethyl)thiadiazole-4-carboxamide
CID 114315970
N-(2-bromo-2-cyclopropylethyl)-2-iodobenzamide
CID 114315773
2-[[(4-methylthiophene-3-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 79802782

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-2-cyclopropylethyl)-4-methylthiophene-3-carboxamide?
The IUPAC name of N-(2-bromo-2-cyclopropylethyl)-4-methylthiophene-3-carboxamide (CID 114315738) is N-(2-bromo-2-cyclopropylethyl)-4-methylthiophene-3-carboxamide.
What is the SMILES notation for N-(2-bromo-2-cyclopropylethyl)-4-methylthiophene-3-carboxamide?
The canonical SMILES for N-(2-bromo-2-cyclopropylethyl)-4-methylthiophene-3-carboxamide is Cc1cscc1C(=O)NCC(Br)C1CC1.
What is the InChIKey of N-(2-bromo-2-cyclopropylethyl)-4-methylthiophene-3-carboxamide?
The InChIKey is PHLBIGALNVAVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNOS/c1-7-5-15-6-9(7)11(14)13-4-10(12)8-2-3-8/h5-6,8,10H,2-4H2,1H3,(H,13,14).
What are the key properties of N-(2-bromo-2-cyclopropylethyl)-4-methylthiophene-3-carboxamide?
N-(2-bromo-2-cyclopropylethyl)-4-methylthiophene-3-carboxamide has a molecular weight of 288.21 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-2-cyclopropylethyl)-4-methylthiophene-3-carboxamide is sourced from PubChem (CID 114315738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).