2-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide

C10H14BrNOS — CID 63681207

IUPAC2-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
SMILESCC(C)C(NC(=O)CBr)c1cccs1
InChIInChI=1S/C10H14BrNOS/c1-7(2)10(12-9(13)6-11)8-4-3-5-14-8/h3-5,7,10H,6H2,1-2H3,(H,12,13)
InChIKeyRWTHSOAHGVODCQ-UHFFFAOYSA-N
MW276.20 g/mol
LogP2.96
Rot. Bonds4

About 2-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide

2-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide (PubChem CID 63681207) has the molecular formula C10H14BrNOS and a molecular weight of 276.20 g/mol. Its IUPAC name is 2-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide.

Molecular Properties

Compound Name2-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
PubChem CID63681207
Molecular FormulaC10H14BrNOS
Molecular Weight276.20 g/mol
Exact Mass275.00
IUPAC Name2-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
SMILESCC(C)C(NC(=O)CBr)c1cccs1
InChIInChI=1S/C10H14BrNOS/c1-7(2)10(12-9(13)6-11)8-4-3-5-14-8/h3-5,7,10H,6H2,1-2H3,(H,12,13)
InChIKeyRWTHSOAHGVODCQ-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide 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

1,3-bis(2-methyl-1-thiophen-2-ylpropyl)urea
CID 47023834
5-amino-N-(2-methyl-1-thiophen-2-ylpropyl)hexanamide
CID 82848158
2-bromo-N-(1-thiophen-2-ylpropyl)acetamide
CID 63678603
2-(4-aminophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 43709161
2-[(2-methylpropan-2-yl)oxy]-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 112604514
2-bromo-3-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide
CID 43699738
2-bromo-N-(2-methyl-1-phenylpropyl)acetamide
CID 10492239
2-chloro-N-[(2-methyl-1-thiophen-2-ylpropyl)carbamoyl]acetamide
CID 54968395
2-(3,4-dihydroxypyrrolidin-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 106672150
2-[bis(furan-2-ylmethyl)amino]-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]acetamide
CID 51487383
2-[bis(furan-2-ylmethyl)amino]-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide
CID 51487381
1,1-diethyl-3-(2-methyl-1-thiophen-2-ylpropyl)urea
CID 115575874

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide?
The IUPAC name of 2-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide (CID 63681207) is 2-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide.
What is the SMILES notation for 2-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide?
The canonical SMILES for 2-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide is CC(C)C(NC(=O)CBr)c1cccs1.
What is the InChIKey of 2-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide?
The InChIKey is RWTHSOAHGVODCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNOS/c1-7(2)10(12-9(13)6-11)8-4-3-5-14-8/h3-5,7,10H,6H2,1-2H3,(H,12,13).
What are the key properties of 2-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide?
2-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide has a molecular weight of 276.20 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 2-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide is sourced from PubChem (CID 63681207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).