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

C10H14BrNOS — CID 114313291

IUPACN-(3-bromo-2-methylpropyl)-4-methylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)NCC(C)CBr
InChIInChI=1S/C10H14BrNOS/c1-7(3-11)4-12-10(13)9-6-14-5-8(9)2/h5-7H,3-4H2,1-2H3,(H,12,13)
InChIKeyNJSNJVVHUTWQFY-UHFFFAOYSA-N
MW276.20 g/mol
LogP2.82
Rot. Bonds4

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

N-(3-bromo-2-methylpropyl)-4-methylthiophene-3-carboxamide (PubChem CID 114313291) has the molecular formula C10H14BrNOS and a molecular weight of 276.20 g/mol. Its IUPAC name is N-(3-bromo-2-methylpropyl)-4-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-2-methylpropyl)-4-methylthiophene-3-carboxamide
PubChem CID114313291
Molecular FormulaC10H14BrNOS
Molecular Weight276.20 g/mol
Exact Mass275.00
IUPAC NameN-(3-bromo-2-methylpropyl)-4-methylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)NCC(C)CBr
InChIInChI=1S/C10H14BrNOS/c1-7(3-11)4-12-10(13)9-6-14-5-8(9)2/h5-7H,3-4H2,1-2H3,(H,12,13)
InChIKeyNJSNJVVHUTWQFY-UHFFFAOYSA-N
XLogP2.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.20
LogP ≤ 52.82
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

4-methyl-N-[2-(methylamino)propyl]thiophene-3-carboxamide
CID 120831829
N-[(2R)-2-(ethylamino)propyl]-4-methylthiophene-3-carboxamide;hydrochloride
CID 120651296
N-(2-bromo-2-cyclopropylethyl)-4-methylthiophene-3-carboxamide
CID 114315738
N-(3-bromo-2-methylpropyl)-2,4-dihydroxybenzamide
CID 107726046
N-(4-aminobutyl)-4-methylthiophene-3-carboxamide
CID 79802509
N-(3-bromo-2-methylpropyl)-2-hydroxy-5-methylbenzamide
CID 114313317
N-[2-(furan-2-yl)-2-hydroxyethyl]-4-methylthiophene-3-carboxamide
CID 111788924
2-methyl-5-[(4-methylthiophene-3-carbonyl)amino]pentanoic acid
CID 104682724
5-bromo-N-(3-bromo-2-methylpropyl)thiophene-2-carboxamide
CID 114313311
N-(4-chlorobutyl)-4-methylthiophene-3-carboxamide
CID 106845248
N-(1-iodo-3-methylbutan-2-yl)-4-methylthiophene-3-carboxamide
CID 107860042
N-(3-bromo-2-methylpropyl)-3-hydroxybenzamide
CID 114313254

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-methylpropyl)-4-methylthiophene-3-carboxamide?
The IUPAC name of N-(3-bromo-2-methylpropyl)-4-methylthiophene-3-carboxamide (CID 114313291) is N-(3-bromo-2-methylpropyl)-4-methylthiophene-3-carboxamide.
What is the SMILES notation for N-(3-bromo-2-methylpropyl)-4-methylthiophene-3-carboxamide?
The canonical SMILES for N-(3-bromo-2-methylpropyl)-4-methylthiophene-3-carboxamide is Cc1cscc1C(=O)NCC(C)CBr.
What is the InChIKey of N-(3-bromo-2-methylpropyl)-4-methylthiophene-3-carboxamide?
The InChIKey is NJSNJVVHUTWQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNOS/c1-7(3-11)4-12-10(13)9-6-14-5-8(9)2/h5-7H,3-4H2,1-2H3,(H,12,13).
What are the key properties of N-(3-bromo-2-methylpropyl)-4-methylthiophene-3-carboxamide?
N-(3-bromo-2-methylpropyl)-4-methylthiophene-3-carboxamide has a molecular weight of 276.20 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-methylpropyl)-4-methylthiophene-3-carboxamide is sourced from PubChem (CID 114313291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).