3-acetamido-N-(4-bromo-2-chlorophenyl)-3-thiophen-2-ylpropanamide

C15H14BrClN2O2S — CID 55499971

IUPAC3-acetamido-N-(4-bromo-2-chlorophenyl)-3-thiophen-2-ylpropanamide
SMILESCC(=O)NC(CC(=O)Nc1ccc(Br)cc1Cl)c1cccs1
InChIInChI=1S/C15H14BrClN2O2S/c1-9(20)18-13(14-3-2-6-22-14)8-15(21)19-12-5-4-10(16)7-11(12)17/h2-7,13H,8H2,1H3,(H,18,20)(H,19,21)
InChIKeyIXOZRKRHZRQYAQ-UHFFFAOYSA-N
MW401.71 g/mol
LogP4.37
Rot. Bonds5

About 3-acetamido-N-(4-bromo-2-chlorophenyl)-3-thiophen-2-ylpropanamide

3-acetamido-N-(4-bromo-2-chlorophenyl)-3-thiophen-2-ylpropanamide (PubChem CID 55499971) has the molecular formula C15H14BrClN2O2S and a molecular weight of 401.71 g/mol. Its IUPAC name is 3-acetamido-N-(4-bromo-2-chlorophenyl)-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name3-acetamido-N-(4-bromo-2-chlorophenyl)-3-thiophen-2-ylpropanamide
PubChem CID55499971
Molecular FormulaC15H14BrClN2O2S
Molecular Weight401.71 g/mol
Exact Mass399.96
IUPAC Name3-acetamido-N-(4-bromo-2-chlorophenyl)-3-thiophen-2-ylpropanamide
SMILESCC(=O)NC(CC(=O)Nc1ccc(Br)cc1Cl)c1cccs1
InChIInChI=1S/C15H14BrClN2O2S/c1-9(20)18-13(14-3-2-6-22-14)8-15(21)19-12-5-4-10(16)7-11(12)17/h2-7,13H,8H2,1H3,(H,18,20)(H,19,21)
InChIKeyIXOZRKRHZRQYAQ-UHFFFAOYSA-N
XLogP4.37
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.71
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-(2-bromophenyl)-3-thiophen-2-ylpropanamide
CID 51309268
3-acetamido-N-(4-chlorophenyl)-3-thiophen-2-ylpropanamide
CID 46697558
3-acetamido-N-(5-bromo-1H-indazol-3-yl)-3-thiophen-2-ylpropanamide
CID 166327313
3-acetamido-N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-thiophen-2-ylpropanamide
CID 55727099
3-acetamido-3-(4-bromophenyl)-N-[(4-chlorophenyl)-thiophen-2-ylmethyl]propanamide
CID 112830065
3-acetamido-N-ethyl-3-thiophen-2-ylpropanamide
CID 47137622
3-acetamido-N-[(2-chlorophenyl)methyl]-3-thiophen-2-ylpropanamide
CID 42931061
3-acetamido-N-(2-methylprop-2-enyl)-3-thiophen-2-ylpropanamide
CID 114618717
3-acetamido-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide
CID 43038764
3-acetamido-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-thiophen-2-ylpropanamide
CID 55573033
N-(2-acetamido-4,5-difluorophenyl)-3-(carbamoylamino)-3-thiophen-2-ylpropanamide
CID 60618030
3-acetamido-N-[2-(dimethylsulfamoyl)phenyl]-3-thiophen-2-ylpropanamide
CID 55985097

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(4-bromo-2-chlorophenyl)-3-thiophen-2-ylpropanamide?
The IUPAC name of 3-acetamido-N-(4-bromo-2-chlorophenyl)-3-thiophen-2-ylpropanamide (CID 55499971) is 3-acetamido-N-(4-bromo-2-chlorophenyl)-3-thiophen-2-ylpropanamide.
What is the SMILES notation for 3-acetamido-N-(4-bromo-2-chlorophenyl)-3-thiophen-2-ylpropanamide?
The canonical SMILES for 3-acetamido-N-(4-bromo-2-chlorophenyl)-3-thiophen-2-ylpropanamide is CC(=O)NC(CC(=O)Nc1ccc(Br)cc1Cl)c1cccs1.
What is the InChIKey of 3-acetamido-N-(4-bromo-2-chlorophenyl)-3-thiophen-2-ylpropanamide?
The InChIKey is IXOZRKRHZRQYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O2S/c1-9(20)18-13(14-3-2-6-22-14)8-15(21)19-12-5-4-10(16)7-11(12)17/h2-7,13H,8H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 3-acetamido-N-(4-bromo-2-chlorophenyl)-3-thiophen-2-ylpropanamide?
3-acetamido-N-(4-bromo-2-chlorophenyl)-3-thiophen-2-ylpropanamide has a molecular weight of 401.71 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(4-bromo-2-chlorophenyl)-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 55499971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).