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

C16H14N2O2S — CID 804447

IUPAC2-(3-formylindol-1-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=Cc1cn(CC(=O)NCc2cccs2)c2ccccc12
InChIInChI=1S/C16H14N2O2S/c19-11-12-9-18(15-6-2-1-5-14(12)15)10-16(20)17-8-13-4-3-7-21-13/h1-7,9,11H,8,10H2,(H,17,20)
InChIKeyVUSDMGIJXQQBKJ-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.83
Rot. Bonds5

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

2-(3-formylindol-1-yl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 804447) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 2-(3-formylindol-1-yl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-formylindol-1-yl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID804447
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name2-(3-formylindol-1-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=Cc1cn(CC(=O)NCc2cccs2)c2ccccc12
InChIInChI=1S/C16H14N2O2S/c19-11-12-9-18(15-6-2-1-5-14(12)15)10-16(20)17-8-13-4-3-7-21-13/h1-7,9,11H,8,10H2,(H,17,20)
InChIKeyVUSDMGIJXQQBKJ-UHFFFAOYSA-N
XLogP2.83
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[3-[(Z)-(1,3-dimethyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]indol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 44714175
2-[3-[(Z)-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 126132718
2-[3-(2-fluorobenzoyl)indol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 1095465
2-[3-[(Z)-[2,4-dioxo-3-(2-phenylethyl)-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 126153218
acetaldehyde;acetylene;2-(3-formylindol-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 161125669
2-[3-[(Z)-[3-[(2-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 126145410
2-[3-[(Z)-[3-[2-(4-chlorophenyl)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 126134489
1-(2-thiophen-2-ylacetyl)indole-3-carbaldehyde
CID 82487926
2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 30560690
2-(3-formylindol-1-yl)acetate
CID 3544186
N-[(2-chloro-4-fluorophenyl)methyl]-2-(3-formylindol-1-yl)acetamide
CID 46858698
N-(4-acetamidophenyl)-2-(3-formylindol-1-yl)acetamide
CID 46858691

Frequently Asked Questions

What is the IUPAC name of 2-(3-formylindol-1-yl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(3-formylindol-1-yl)-N-(thiophen-2-ylmethyl)acetamide (CID 804447) is 2-(3-formylindol-1-yl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-formylindol-1-yl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3-formylindol-1-yl)-N-(thiophen-2-ylmethyl)acetamide is O=Cc1cn(CC(=O)NCc2cccs2)c2ccccc12.
What is the InChIKey of 2-(3-formylindol-1-yl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is VUSDMGIJXQQBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c19-11-12-9-18(15-6-2-1-5-14(12)15)10-16(20)17-8-13-4-3-7-21-13/h1-7,9,11H,8,10H2,(H,17,20).
What are the key properties of 2-(3-formylindol-1-yl)-N-(thiophen-2-ylmethyl)acetamide?
2-(3-formylindol-1-yl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 298.37 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-formylindol-1-yl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 804447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).