3-acetamido-N-(2-bromophenyl)-3-thiophen-2-ylpropanamide

C15H15BrN2O2S — CID 51309268

IUPAC3-acetamido-N-(2-bromophenyl)-3-thiophen-2-ylpropanamide
SMILESCC(=O)NC(CC(=O)Nc1ccccc1Br)c1cccs1
InChIInChI=1S/C15H15BrN2O2S/c1-10(19)17-13(14-7-4-8-21-14)9-15(20)18-12-6-3-2-5-11(12)16/h2-8,13H,9H2,1H3,(H,17,19)(H,18,20)
InChIKeyMFYJVQLQZQSDDF-UHFFFAOYSA-N
MW367.27 g/mol
LogP3.72
Rot. Bonds5

About 3-acetamido-N-(2-bromophenyl)-3-thiophen-2-ylpropanamide

3-acetamido-N-(2-bromophenyl)-3-thiophen-2-ylpropanamide (PubChem CID 51309268) has the molecular formula C15H15BrN2O2S and a molecular weight of 367.27 g/mol. Its IUPAC name is 3-acetamido-N-(2-bromophenyl)-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name3-acetamido-N-(2-bromophenyl)-3-thiophen-2-ylpropanamide
PubChem CID51309268
Molecular FormulaC15H15BrN2O2S
Molecular Weight367.27 g/mol
Exact Mass366.00
IUPAC Name3-acetamido-N-(2-bromophenyl)-3-thiophen-2-ylpropanamide
SMILESCC(=O)NC(CC(=O)Nc1ccccc1Br)c1cccs1
InChIInChI=1S/C15H15BrN2O2S/c1-10(19)17-13(14-7-4-8-21-14)9-15(20)18-12-6-3-2-5-11(12)16/h2-8,13H,9H2,1H3,(H,17,19)(H,18,20)
InChIKeyMFYJVQLQZQSDDF-UHFFFAOYSA-N
XLogP3.72
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.27
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-(4-bromo-2-chlorophenyl)-3-thiophen-2-ylpropanamide
CID 55499971
3-acetamido-N-[2-(dimethylsulfamoyl)phenyl]-3-thiophen-2-ylpropanamide
CID 55985097
3-acetamido-N-(2-bromophenyl)-3-(4-methylphenyl)propanamide
CID 51194779
3-acetamido-N-ethyl-3-thiophen-2-ylpropanamide
CID 47137622
3-acetamido-N-(4-chlorophenyl)-3-thiophen-2-ylpropanamide
CID 46697558
3-acetamido-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-thiophen-2-ylpropanamide
CID 55573033
3-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]butanoic acid
CID 43360839
3-acetamido-N-cyano-3-thiophen-2-ylpropanamide
CID 79193756
3-acetamido-N-(2-methylprop-2-enyl)-3-thiophen-2-ylpropanamide
CID 114618717
3-acetamido-N-(4-methyl-1H-pyrazol-5-yl)-3-thiophen-2-ylpropanamide
CID 115629975
N-(2-acetamido-4,5-difluorophenyl)-3-(carbamoylamino)-3-thiophen-2-ylpropanamide
CID 60618030
N-[2-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]ethyl]-2-methylpropanamide
CID 43039868

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(2-bromophenyl)-3-thiophen-2-ylpropanamide?
The IUPAC name of 3-acetamido-N-(2-bromophenyl)-3-thiophen-2-ylpropanamide (CID 51309268) is 3-acetamido-N-(2-bromophenyl)-3-thiophen-2-ylpropanamide.
What is the SMILES notation for 3-acetamido-N-(2-bromophenyl)-3-thiophen-2-ylpropanamide?
The canonical SMILES for 3-acetamido-N-(2-bromophenyl)-3-thiophen-2-ylpropanamide is CC(=O)NC(CC(=O)Nc1ccccc1Br)c1cccs1.
What is the InChIKey of 3-acetamido-N-(2-bromophenyl)-3-thiophen-2-ylpropanamide?
The InChIKey is MFYJVQLQZQSDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2S/c1-10(19)17-13(14-7-4-8-21-14)9-15(20)18-12-6-3-2-5-11(12)16/h2-8,13H,9H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 3-acetamido-N-(2-bromophenyl)-3-thiophen-2-ylpropanamide?
3-acetamido-N-(2-bromophenyl)-3-thiophen-2-ylpropanamide has a molecular weight of 367.27 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(2-bromophenyl)-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 51309268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).