N-[2-(2-methylindol-1-yl)ethyl]-2-thiophen-2-ylacetamide

C17H18N2OS — CID 5080463

IUPACN-[2-(2-methylindol-1-yl)ethyl]-2-thiophen-2-ylacetamide
SMILESCc1cc2ccccc2n1CCNC(=O)Cc1cccs1
InChIInChI=1S/C17H18N2OS/c1-13-11-14-5-2-3-7-16(14)19(13)9-8-18-17(20)12-15-6-4-10-21-15/h2-7,10-11H,8-9,12H2,1H3,(H,18,20)
InChIKeyXAYJZHGRLLWOKJ-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.37
Rot. Bonds5

About N-[2-(2-methylindol-1-yl)ethyl]-2-thiophen-2-ylacetamide

N-[2-(2-methylindol-1-yl)ethyl]-2-thiophen-2-ylacetamide (PubChem CID 5080463) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[2-(2-methylindol-1-yl)ethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[2-(2-methylindol-1-yl)ethyl]-2-thiophen-2-ylacetamide
PubChem CID5080463
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC NameN-[2-(2-methylindol-1-yl)ethyl]-2-thiophen-2-ylacetamide
SMILESCc1cc2ccccc2n1CCNC(=O)Cc1cccs1
InChIInChI=1S/C17H18N2OS/c1-13-11-14-5-2-3-7-16(14)19(13)9-8-18-17(20)12-15-6-4-10-21-15/h2-7,10-11H,8-9,12H2,1H3,(H,18,20)
InChIKeyXAYJZHGRLLWOKJ-UHFFFAOYSA-N
XLogP3.37
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylindol-1-yl)ethyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[2-(2-methylindol-1-yl)ethyl]-2-thiophen-2-ylacetamide (CID 5080463) is N-[2-(2-methylindol-1-yl)ethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[2-(2-methylindol-1-yl)ethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[2-(2-methylindol-1-yl)ethyl]-2-thiophen-2-ylacetamide is Cc1cc2ccccc2n1CCNC(=O)Cc1cccs1.
What is the InChIKey of N-[2-(2-methylindol-1-yl)ethyl]-2-thiophen-2-ylacetamide?
The InChIKey is XAYJZHGRLLWOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-13-11-14-5-2-3-7-16(14)19(13)9-8-18-17(20)12-15-6-4-10-21-15/h2-7,10-11H,8-9,12H2,1H3,(H,18,20).
What are the key properties of N-[2-(2-methylindol-1-yl)ethyl]-2-thiophen-2-ylacetamide?
N-[2-(2-methylindol-1-yl)ethyl]-2-thiophen-2-ylacetamide has a molecular weight of 298.41 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylindol-1-yl)ethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 5080463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).