2-(4-aminophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride

C14H14ClNOS — CID 117048932

IUPAC2-(4-aminophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride
SMILESCC(Cc1cccs1)(C(=O)Cl)c1ccc(N)cc1
InChIInChI=1S/C14H14ClNOS/c1-14(13(15)17,9-12-3-2-8-18-12)10-4-6-11(16)7-5-10/h2-8H,9,16H2,1H3
InChIKeyVPVZSVSVHJVPHW-UHFFFAOYSA-N
MW279.79 g/mol
LogP3.60
Rot. Bonds4

About 2-(4-aminophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride

2-(4-aminophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride (PubChem CID 117048932) has the molecular formula C14H14ClNOS and a molecular weight of 279.79 g/mol. Its IUPAC name is 2-(4-aminophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride.

Molecular Properties

Compound Name2-(4-aminophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride
PubChem CID117048932
Molecular FormulaC14H14ClNOS
Molecular Weight279.79 g/mol
Exact Mass279.05
IUPAC Name2-(4-aminophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride
SMILESCC(Cc1cccs1)(C(=O)Cl)c1ccc(N)cc1
InChIInChI=1S/C14H14ClNOS/c1-14(13(15)17,9-12-3-2-8-18-12)10-4-6-11(16)7-5-10/h2-8H,9,16H2,1H3
InChIKeyVPVZSVSVHJVPHW-UHFFFAOYSA-N
XLogP3.60
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.79
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[5-(4-Aminophenyl)thiophen-2-yl]ethan-1-one
CID 4962144
1-[5-(4-Aminophenyl)thiophen-2-yl]ethanone;hydrochloride
CID 134134702
1-[5-(4-Aminophenyl)-4-chlorothiophen-2-yl]ethanone
CID 102291131
2-(2-Amino-5-fluorophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride
CID 117048926
2-(6-Amino-2,3-difluorophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride
CID 117048928
2-(4-Amino-2-fluorophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride
CID 117048930
3-(4-Aminophenyl)-1-thiophen-2-ylpropan-1-one
CID 23009108
N-[4-(1-chloropropan-2-yl)phenyl]-2-methyl-2-thiophen-2-ylpropanamide
CID 139604583
N-[4-(1-chloropropan-2-yl)phenyl]-2-thiophen-2-ylacetamide
CID 139604588
N-[4-(1-chloropropan-2-yl)phenyl]-2-methyl-2-thiophen-3-ylpropanamide
CID 139604605
3-(4-Aminophenyl)-4-methylthiophene-2-carbaldehyde
CID 140496575
2-[(4-Nitrophenyl)methyl]-2-thiophen-3-ylpropanedioyl dichloride
CID 154305890

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride?
The IUPAC name of 2-(4-aminophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride (CID 117048932) is 2-(4-aminophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride.
What is the SMILES notation for 2-(4-aminophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride?
The canonical SMILES for 2-(4-aminophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride is CC(Cc1cccs1)(C(=O)Cl)c1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride?
The InChIKey is VPVZSVSVHJVPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNOS/c1-14(13(15)17,9-12-3-2-8-18-12)10-4-6-11(16)7-5-10/h2-8H,9,16H2,1H3.
What are the key properties of 2-(4-aminophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride?
2-(4-aminophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride has a molecular weight of 279.79 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride is sourced from PubChem (CID 117048932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).