N-(4-aminophenyl)-N-methyl-2-thiophen-2-ylacetamide

C13H14N2OS — CID 43114422

IUPACN-(4-aminophenyl)-N-methyl-2-thiophen-2-ylacetamide
SMILESCN(C(=O)Cc1cccs1)c1ccc(N)cc1
InChIInChI=1S/C13H14N2OS/c1-15(11-6-4-10(14)5-7-11)13(16)9-12-3-2-8-17-12/h2-8H,9,14H2,1H3
InChIKeyMZPWYHHKYDJNAK-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.54
Rot. Bonds3

About N-(4-aminophenyl)-N-methyl-2-thiophen-2-ylacetamide

N-(4-aminophenyl)-N-methyl-2-thiophen-2-ylacetamide (PubChem CID 43114422) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is N-(4-aminophenyl)-N-methyl-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-N-methyl-2-thiophen-2-ylacetamide
PubChem CID43114422
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC NameN-(4-aminophenyl)-N-methyl-2-thiophen-2-ylacetamide
SMILESCN(C(=O)Cc1cccs1)c1ccc(N)cc1
InChIInChI=1S/C13H14N2OS/c1-15(11-6-4-10(14)5-7-11)13(16)9-12-3-2-8-17-12/h2-8H,9,14H2,1H3
InChIKeyMZPWYHHKYDJNAK-UHFFFAOYSA-N
XLogP2.54
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-methyl-2-thiophen-2-ylacetamide
CID 76979565
N-[(3-aminophenyl)methyl]-N-methyl-2-thiophen-2-ylacetamide
CID 43383718
N-[(4-aminophenyl)methyl]-N-cyclopropyl-2-thiophen-2-ylacetamide
CID 43460540
N-cyano-N-methyl-2-thiophen-2-ylacetamide
CID 131201372
N,N-bis(2-hydroxypropyl)-2-thiophen-2-ylacetamide
CID 112509111
N-(4-aminophenyl)-2-(3-hydroxyphenyl)-N-methylacetamide
CID 61399690
4-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 79470906
4-(4-aminophenyl)-1-thiophen-2-ylpentan-2-one
CID 116612699
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-thiophen-2-ylacetamide
CID 79653255
N-(4-aminophenyl)-3-(dimethylamino)-N-methylpropanamide
CID 23506938
N-(2-aminophenyl)-N-ethyl-2-thiophen-2-ylacetamide
CID 62101477
N-methyl-N-[2-(methylamino)-2-oxoethyl]-2-thiophen-2-ylacetamide
CID 134049303

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-N-methyl-2-thiophen-2-ylacetamide?
The IUPAC name of N-(4-aminophenyl)-N-methyl-2-thiophen-2-ylacetamide (CID 43114422) is N-(4-aminophenyl)-N-methyl-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(4-aminophenyl)-N-methyl-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(4-aminophenyl)-N-methyl-2-thiophen-2-ylacetamide is CN(C(=O)Cc1cccs1)c1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-N-methyl-2-thiophen-2-ylacetamide?
The InChIKey is MZPWYHHKYDJNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-15(11-6-4-10(14)5-7-11)13(16)9-12-3-2-8-17-12/h2-8H,9,14H2,1H3.
What are the key properties of N-(4-aminophenyl)-N-methyl-2-thiophen-2-ylacetamide?
N-(4-aminophenyl)-N-methyl-2-thiophen-2-ylacetamide has a molecular weight of 246.34 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-N-methyl-2-thiophen-2-ylacetamide is sourced from PubChem (CID 43114422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).