2-(2-bromoanilino)-N-(thiophen-2-ylmethyl)acetamide

C13H13BrN2OS — CID 33161762

IUPAC2-(2-bromoanilino)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CNc1ccccc1Br)NCc1cccs1
InChIInChI=1S/C13H13BrN2OS/c14-11-5-1-2-6-12(11)15-9-13(17)16-8-10-4-3-7-18-10/h1-7,15H,8-9H2,(H,16,17)
InChIKeyVEUJIYWPWVURGR-UHFFFAOYSA-N
MW325.23 g/mol
LogP3.24
Rot. Bonds5

About 2-(2-bromoanilino)-N-(thiophen-2-ylmethyl)acetamide

2-(2-bromoanilino)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 33161762) has the molecular formula C13H13BrN2OS and a molecular weight of 325.23 g/mol. Its IUPAC name is 2-(2-bromoanilino)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-bromoanilino)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID33161762
Molecular FormulaC13H13BrN2OS
Molecular Weight325.23 g/mol
Exact Mass323.99
IUPAC Name2-(2-bromoanilino)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CNc1ccccc1Br)NCc1cccs1
InChIInChI=1S/C13H13BrN2OS/c14-11-5-1-2-6-12(11)15-9-13(17)16-8-10-4-3-7-18-10/h1-7,15H,8-9H2,(H,16,17)
InChIKeyVEUJIYWPWVURGR-UHFFFAOYSA-N
XLogP3.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.23
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-tert-butylanilino)-N-(thiophen-2-ylmethyl)acetamide
CID 30717585
2-(4-bromo-2-fluoroanilino)-N-(thiophen-2-ylmethyl)acetamide
CID 33216280
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
4-[[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]benzamide
CID 47113148
2-(ethylamino)-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 43810411
2-fluoro-N-(thiophen-2-ylmethyl)acetamide
CID 150063829
2-(3-chloroanilino)-N-(thiophen-2-ylmethyl)acetamide
CID 37474298
3,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 1246126
N-benzyl-2-(thiophen-2-ylmethylamino)acetamide
CID 43242498
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749
2-naphthalen-1-yl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide
CID 7676413
2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 40930755

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoanilino)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(2-bromoanilino)-N-(thiophen-2-ylmethyl)acetamide (CID 33161762) is 2-(2-bromoanilino)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-bromoanilino)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2-bromoanilino)-N-(thiophen-2-ylmethyl)acetamide is O=C(CNc1ccccc1Br)NCc1cccs1.
What is the InChIKey of 2-(2-bromoanilino)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is VEUJIYWPWVURGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2OS/c14-11-5-1-2-6-12(11)15-9-13(17)16-8-10-4-3-7-18-10/h1-7,15H,8-9H2,(H,16,17).
What are the key properties of 2-(2-bromoanilino)-N-(thiophen-2-ylmethyl)acetamide?
2-(2-bromoanilino)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 325.23 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoanilino)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 33161762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).