N-[2-[4-(dimethylamino)phenyl]ethyl]-2-thiophen-2-ylacetamide

C16H20N2OS — CID 16889398

IUPACN-[2-[4-(dimethylamino)phenyl]ethyl]-2-thiophen-2-ylacetamide
SMILESCN(C)c1ccc(CCNC(=O)Cc2cccs2)cc1
InChIInChI=1S/C16H20N2OS/c1-18(2)14-7-5-13(6-8-14)9-10-17-16(19)12-15-4-3-11-20-15/h3-8,11H,9-10,12H2,1-2H3,(H,17,19)
InChIKeyJJNLCBBBPWEHQG-UHFFFAOYSA-N
MW288.42 g/mol
LogP2.72
Rot. Bonds6

About N-[2-[4-(dimethylamino)phenyl]ethyl]-2-thiophen-2-ylacetamide

N-[2-[4-(dimethylamino)phenyl]ethyl]-2-thiophen-2-ylacetamide (PubChem CID 16889398) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is N-[2-[4-(dimethylamino)phenyl]ethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[2-[4-(dimethylamino)phenyl]ethyl]-2-thiophen-2-ylacetamide
PubChem CID16889398
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC NameN-[2-[4-(dimethylamino)phenyl]ethyl]-2-thiophen-2-ylacetamide
SMILESCN(C)c1ccc(CCNC(=O)Cc2cccs2)cc1
InChIInChI=1S/C16H20N2OS/c1-18(2)14-7-5-13(6-8-14)9-10-17-16(19)12-15-4-3-11-20-15/h3-8,11H,9-10,12H2,1-2H3,(H,17,19)
InChIKeyJJNLCBBBPWEHQG-UHFFFAOYSA-N
XLogP2.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(dimethylamino)phenyl]ethyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[2-[4-(dimethylamino)phenyl]ethyl]-2-thiophen-2-ylacetamide (CID 16889398) is N-[2-[4-(dimethylamino)phenyl]ethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[2-[4-(dimethylamino)phenyl]ethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[2-[4-(dimethylamino)phenyl]ethyl]-2-thiophen-2-ylacetamide is CN(C)c1ccc(CCNC(=O)Cc2cccs2)cc1.
What is the InChIKey of N-[2-[4-(dimethylamino)phenyl]ethyl]-2-thiophen-2-ylacetamide?
The InChIKey is JJNLCBBBPWEHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-18(2)14-7-5-13(6-8-14)9-10-17-16(19)12-15-4-3-11-20-15/h3-8,11H,9-10,12H2,1-2H3,(H,17,19).
What are the key properties of N-[2-[4-(dimethylamino)phenyl]ethyl]-2-thiophen-2-ylacetamide?
N-[2-[4-(dimethylamino)phenyl]ethyl]-2-thiophen-2-ylacetamide has a molecular weight of 288.42 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(dimethylamino)phenyl]ethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 16889398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).