N-(4-bromo-3-methylphenyl)-2-thiophen-3-ylacetamide

C13H12BrNOS — CID 2486757

IUPACN-(4-bromo-3-methylphenyl)-2-thiophen-3-ylacetamide
SMILESCc1cc(NC(=O)Cc2ccsc2)ccc1Br
InChIInChI=1S/C13H12BrNOS/c1-9-6-11(2-3-12(9)14)15-13(16)7-10-4-5-17-8-10/h2-6,8H,7H2,1H3,(H,15,16)
InChIKeyHGWFEPCYNHINIM-UHFFFAOYSA-N
MW310.22 g/mol
LogP4.00
Rot. Bonds3

About N-(4-bromo-3-methylphenyl)-2-thiophen-3-ylacetamide

N-(4-bromo-3-methylphenyl)-2-thiophen-3-ylacetamide (PubChem CID 2486757) has the molecular formula C13H12BrNOS and a molecular weight of 310.22 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-thiophen-3-ylacetamide
PubChem CID2486757
Molecular FormulaC13H12BrNOS
Molecular Weight310.22 g/mol
Exact Mass308.98
IUPAC NameN-(4-bromo-3-methylphenyl)-2-thiophen-3-ylacetamide
SMILESCc1cc(NC(=O)Cc2ccsc2)ccc1Br
InChIInChI=1S/C13H12BrNOS/c1-9-6-11(2-3-12(9)14)15-13(16)7-10-4-5-17-8-10/h2-6,8H,7H2,1H3,(H,15,16)
InChIKeyHGWFEPCYNHINIM-UHFFFAOYSA-N
XLogP4.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-hydroxy-4-methylphenyl)-2-thiophen-3-ylacetamide
CID 64792905
N-(4-bromo-3-methylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide
CID 17491998
N-(4-bromo-3-methylphenyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 8926939
N-(4-bromo-3-methylphenyl)-2-(4-fluorophenyl)acetamide
CID 4798945
N-(2-methyl-1,3-benzothiazol-6-yl)-2-thiophen-3-ylacetamide
CID 2550244
N-(4-amino-3-chlorophenyl)-2-thiophen-3-ylacetamide
CID 82862101
N-[3-bromo-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-2-thiophen-3-ylacetamide
CID 70450416
1-(3-bromo-4-methylphenyl)-3-(thiophen-3-ylmethyl)urea
CID 78874516
N-(5-bromo-3-methyl-2-pyridinyl)-2-thiophen-3-ylacetamide
CID 81489498
4-bromo-3-[(2-thiophen-3-ylacetyl)amino]benzoic acid
CID 107812320
N-(4-bromo-3-methylphenyl)-2-(2,4-dichlorophenyl)acetamide
CID 7959233
N-(4-bromo-3-methylphenyl)-2-(3,4-dimethylanilino)acetamide
CID 109007435

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-thiophen-3-ylacetamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-thiophen-3-ylacetamide (CID 2486757) is N-(4-bromo-3-methylphenyl)-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-thiophen-3-ylacetamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-thiophen-3-ylacetamide is Cc1cc(NC(=O)Cc2ccsc2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-thiophen-3-ylacetamide?
The InChIKey is HGWFEPCYNHINIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNOS/c1-9-6-11(2-3-12(9)14)15-13(16)7-10-4-5-17-8-10/h2-6,8H,7H2,1H3,(H,15,16).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-thiophen-3-ylacetamide?
N-(4-bromo-3-methylphenyl)-2-thiophen-3-ylacetamide has a molecular weight of 310.22 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-thiophen-3-ylacetamide is sourced from PubChem (CID 2486757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).