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

C15H14N2OS — CID 858405

IUPAC2-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)NCc1cccs1
InChIInChI=1S/C15H14N2OS/c18-15(17-10-12-4-3-7-19-12)8-11-9-16-14-6-2-1-5-13(11)14/h1-7,9,16H,8,10H2,(H,17,18)
InChIKeyYHMMIFNWPGKWOF-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.09
Rot. Bonds4

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

2-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 858405) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID858405
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name2-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)NCc1cccs1
InChIInChI=1S/C15H14N2OS/c18-15(17-10-12-4-3-7-19-12)8-11-9-16-14-6-2-1-5-13(11)14/h1-7,9,16H,8,10H2,(H,17,18)
InChIKeyYHMMIFNWPGKWOF-UHFFFAOYSA-N
XLogP3.09
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)acetamide (CID 858405) is 2-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)acetamide is O=C(Cc1c[nH]c2ccccc12)NCc1cccs1.
What is the InChIKey of 2-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is YHMMIFNWPGKWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c18-15(17-10-12-4-3-7-19-12)8-11-9-16-14-6-2-1-5-13(11)14/h1-7,9,16H,8,10H2,(H,17,18).
What are the key properties of 2-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)acetamide?
2-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 270.36 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 858405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).