2-(1-benzylindol-3-yl)-N-(thiophen-2-ylmethyl)acetamide

C22H20N2OS — CID 16820607

IUPAC2-(1-benzylindol-3-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(Cc1cn(Cc2ccccc2)c2ccccc12)NCc1cccs1
InChIInChI=1S/C22H20N2OS/c25-22(23-14-19-9-6-12-26-19)13-18-16-24(15-17-7-2-1-3-8-17)21-11-5-4-10-20(18)21/h1-12,16H,13-15H2,(H,23,25)
InChIKeyAOBLLJQQFXRAJU-UHFFFAOYSA-N
MW360.48 g/mol
LogP4.61
Rot. Bonds6

About 2-(1-benzylindol-3-yl)-N-(thiophen-2-ylmethyl)acetamide

2-(1-benzylindol-3-yl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 16820607) has the molecular formula C22H20N2OS and a molecular weight of 360.48 g/mol. Its IUPAC name is 2-(1-benzylindol-3-yl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1-benzylindol-3-yl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID16820607
Molecular FormulaC22H20N2OS
Molecular Weight360.48 g/mol
Exact Mass360.13
IUPAC Name2-(1-benzylindol-3-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(Cc1cn(Cc2ccccc2)c2ccccc12)NCc1cccs1
InChIInChI=1S/C22H20N2OS/c25-22(23-14-19-9-6-12-26-19)13-18-16-24(15-17-7-2-1-3-8-17)21-11-5-4-10-20(18)21/h1-12,16H,13-15H2,(H,23,25)
InChIKeyAOBLLJQQFXRAJU-UHFFFAOYSA-N
XLogP4.61
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylindol-3-yl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(1-benzylindol-3-yl)-N-(thiophen-2-ylmethyl)acetamide (CID 16820607) is 2-(1-benzylindol-3-yl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(1-benzylindol-3-yl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(1-benzylindol-3-yl)-N-(thiophen-2-ylmethyl)acetamide is O=C(Cc1cn(Cc2ccccc2)c2ccccc12)NCc1cccs1.
What is the InChIKey of 2-(1-benzylindol-3-yl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is AOBLLJQQFXRAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2OS/c25-22(23-14-19-9-6-12-26-19)13-18-16-24(15-17-7-2-1-3-8-17)21-11-5-4-10-20(18)21/h1-12,16H,13-15H2,(H,23,25).
What are the key properties of 2-(1-benzylindol-3-yl)-N-(thiophen-2-ylmethyl)acetamide?
2-(1-benzylindol-3-yl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 360.48 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylindol-3-yl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 16820607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).