2-(1,2-dimethylindol-3-yl)-N-(2-thiophen-2-ylethyl)acetamide

C18H20N2OS — CID 110768844

IUPAC2-(1,2-dimethylindol-3-yl)-N-(2-thiophen-2-ylethyl)acetamide
SMILESCc1c(CC(=O)NCCc2cccs2)c2ccccc2n1C
InChIInChI=1S/C18H20N2OS/c1-13-16(15-7-3-4-8-17(15)20(13)2)12-18(21)19-10-9-14-6-5-11-22-14/h3-8,11H,9-10,12H2,1-2H3,(H,19,21)
InChIKeyDJBJGBJBENDHFI-UHFFFAOYSA-N
MW312.44 g/mol
LogP3.45
Rot. Bonds5

About 2-(1,2-dimethylindol-3-yl)-N-(2-thiophen-2-ylethyl)acetamide

2-(1,2-dimethylindol-3-yl)-N-(2-thiophen-2-ylethyl)acetamide (PubChem CID 110768844) has the molecular formula C18H20N2OS and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-(1,2-dimethylindol-3-yl)-N-(2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(1,2-dimethylindol-3-yl)-N-(2-thiophen-2-ylethyl)acetamide
PubChem CID110768844
Molecular FormulaC18H20N2OS
Molecular Weight312.44 g/mol
Exact Mass312.13
IUPAC Name2-(1,2-dimethylindol-3-yl)-N-(2-thiophen-2-ylethyl)acetamide
SMILESCc1c(CC(=O)NCCc2cccs2)c2ccccc2n1C
InChIInChI=1S/C18H20N2OS/c1-13-16(15-7-3-4-8-17(15)20(13)2)12-18(21)19-10-9-14-6-5-11-22-14/h3-8,11H,9-10,12H2,1-2H3,(H,19,21)
InChIKeyDJBJGBJBENDHFI-UHFFFAOYSA-N
XLogP3.45
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-(1,2-dimethylindol-3-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 113211396
N-[2-(1-methylindol-3-yl)ethyl]-2-thiophen-2-ylacetamide
CID 110731525
2-(1,2-dimethylindol-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 110768837
N-(4-acetamidophenyl)-2-(1,2-dimethylindol-3-yl)acetamide
CID 110768882
N-[2-(1,2-dimethylindol-3-yl)ethyl]-2-fluorobenzamide
CID 113085569
2-(1,2-dimethylindol-3-yl)acetamide
CID 67627690
2-hydroxy-N-(2-thiophen-2-ylethyl)acetamide
CID 13454159
5-chloro-1,3-dimethyl-N-(2-thiophen-2-ylethyl)indole-2-carboxamide
CID 16646005
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
2-(4-methyl-1,3-thiazol-5-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 110679612
N-(2-bromophenyl)-2-(1,2-dimethylindol-3-yl)acetamide
CID 113211482
N-methyl-2-[[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]acetamide
CID 8772566

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dimethylindol-3-yl)-N-(2-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-(1,2-dimethylindol-3-yl)-N-(2-thiophen-2-ylethyl)acetamide (CID 110768844) is 2-(1,2-dimethylindol-3-yl)-N-(2-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-(1,2-dimethylindol-3-yl)-N-(2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-(1,2-dimethylindol-3-yl)-N-(2-thiophen-2-ylethyl)acetamide is Cc1c(CC(=O)NCCc2cccs2)c2ccccc2n1C.
What is the InChIKey of 2-(1,2-dimethylindol-3-yl)-N-(2-thiophen-2-ylethyl)acetamide?
The InChIKey is DJBJGBJBENDHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2OS/c1-13-16(15-7-3-4-8-17(15)20(13)2)12-18(21)19-10-9-14-6-5-11-22-14/h3-8,11H,9-10,12H2,1-2H3,(H,19,21).
What are the key properties of 2-(1,2-dimethylindol-3-yl)-N-(2-thiophen-2-ylethyl)acetamide?
2-(1,2-dimethylindol-3-yl)-N-(2-thiophen-2-ylethyl)acetamide has a molecular weight of 312.44 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dimethylindol-3-yl)-N-(2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 110768844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).