2-(1H-indol-3-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide

C16H16N2OS — CID 2557722

IUPAC2-(1H-indol-3-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCN(Cc1cccs1)C(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C16H16N2OS/c1-18(11-13-5-4-8-20-13)16(19)9-12-10-17-15-7-3-2-6-14(12)15/h2-8,10,17H,9,11H2,1H3
InChIKeyLYXSWHWKZMSHAL-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.43
Rot. Bonds4

About 2-(1H-indol-3-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide

2-(1H-indol-3-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 2557722) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID2557722
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name2-(1H-indol-3-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCN(Cc1cccs1)C(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C16H16N2OS/c1-18(11-13-5-4-8-20-13)16(19)9-12-10-17-15-7-3-2-6-14(12)15/h2-8,10,17H,9,11H2,1H3
InChIKeyLYXSWHWKZMSHAL-UHFFFAOYSA-N
XLogP3.43
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide (CID 2557722) is 2-(1H-indol-3-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide is CN(Cc1cccs1)C(=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indol-3-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is LYXSWHWKZMSHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-18(11-13-5-4-8-20-13)16(19)9-12-10-17-15-7-3-2-6-14(12)15/h2-8,10,17H,9,11H2,1H3.
What are the key properties of 2-(1H-indol-3-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
2-(1H-indol-3-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 284.38 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 2557722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).