N-[3-[4-(dimethylamino)phenyl]propyl]-2-thiophen-2-ylacetamide

C17H22N2OS — CID 16889827

IUPACN-[3-[4-(dimethylamino)phenyl]propyl]-2-thiophen-2-ylacetamide
SMILESCN(C)c1ccc(CCCNC(=O)Cc2cccs2)cc1
InChIInChI=1S/C17H22N2OS/c1-19(2)15-9-7-14(8-10-15)5-3-11-18-17(20)13-16-6-4-12-21-16/h4,6-10,12H,3,5,11,13H2,1-2H3,(H,18,20)
InChIKeyDJGOTIQQABLOHY-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.11
Rot. Bonds7

About N-[3-[4-(dimethylamino)phenyl]propyl]-2-thiophen-2-ylacetamide

N-[3-[4-(dimethylamino)phenyl]propyl]-2-thiophen-2-ylacetamide (PubChem CID 16889827) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is N-[3-[4-(dimethylamino)phenyl]propyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[3-[4-(dimethylamino)phenyl]propyl]-2-thiophen-2-ylacetamide
PubChem CID16889827
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC NameN-[3-[4-(dimethylamino)phenyl]propyl]-2-thiophen-2-ylacetamide
SMILESCN(C)c1ccc(CCCNC(=O)Cc2cccs2)cc1
InChIInChI=1S/C17H22N2OS/c1-19(2)15-9-7-14(8-10-15)5-3-11-18-17(20)13-16-6-4-12-21-16/h4,6-10,12H,3,5,11,13H2,1-2H3,(H,18,20)
InChIKeyDJGOTIQQABLOHY-UHFFFAOYSA-N
XLogP3.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(dimethylamino)phenyl]propyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[3-[4-(dimethylamino)phenyl]propyl]-2-thiophen-2-ylacetamide (CID 16889827) is N-[3-[4-(dimethylamino)phenyl]propyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[3-[4-(dimethylamino)phenyl]propyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[3-[4-(dimethylamino)phenyl]propyl]-2-thiophen-2-ylacetamide is CN(C)c1ccc(CCCNC(=O)Cc2cccs2)cc1.
What is the InChIKey of N-[3-[4-(dimethylamino)phenyl]propyl]-2-thiophen-2-ylacetamide?
The InChIKey is DJGOTIQQABLOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-19(2)15-9-7-14(8-10-15)5-3-11-18-17(20)13-16-6-4-12-21-16/h4,6-10,12H,3,5,11,13H2,1-2H3,(H,18,20).
What are the key properties of N-[3-[4-(dimethylamino)phenyl]propyl]-2-thiophen-2-ylacetamide?
N-[3-[4-(dimethylamino)phenyl]propyl]-2-thiophen-2-ylacetamide has a molecular weight of 302.44 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(dimethylamino)phenyl]propyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 16889827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).