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

C15H12N2O2S — CID 3547608

IUPAC2-(1H-indol-3-yl)-2-oxo-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(NCc1cccs1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C15H12N2O2S/c18-14(15(19)17-8-10-4-3-7-20-10)12-9-16-13-6-2-1-5-11(12)13/h1-7,9,16H,8H2,(H,17,19)
InChIKeyHKLYSMOJETWKPG-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.73
Rot. Bonds4

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

2-(1H-indol-3-yl)-2-oxo-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 3547608) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-2-oxo-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-2-oxo-N-(thiophen-2-ylmethyl)acetamide
PubChem CID3547608
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC Name2-(1H-indol-3-yl)-2-oxo-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(NCc1cccs1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C15H12N2O2S/c18-14(15(19)17-8-10-4-3-7-20-10)12-9-16-13-6-2-1-5-11(12)13/h1-7,9,16H,8H2,(H,17,19)
InChIKeyHKLYSMOJETWKPG-UHFFFAOYSA-N
XLogP2.73
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-(2-Methylindol-3-yl)ethyl)-2-thienylcarboxamide
CID 588963
2-(1H-indol-3-yl)-2-oxo-N-(2-phenylethyl)acetamide
CID 2176767
N-(indol-3-ylglyoxylyl)benzylamine
CID 3149447
N-cyclohexyl-2-(1H-indol-3-yl)-2-oxoacetamide
CID 2068180
2-(1H-indol-3-yl)-N-(4-methylphenyl)-2-oxoacetamide
CID 3149444
2-(1H-Indol-3-yl)-N,N-dimethyl-2-oxo-acetamide
CID 34471
N-Ethyl-2-(1H-indol-3-yl)-2-oxoacetamide
CID 41500
3-(1-benzothiophen-3-yl)-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327663
3-(1-methyl-1H-indol-3-yl)-4-(thiophen-2-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327668
Maleimide derivative, 5
CID 10477747
Pyrrolopyridine, 13
CID 16719973
Pyrrolopyridine, 15
CID 16719976

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-2-oxo-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(1H-indol-3-yl)-2-oxo-N-(thiophen-2-ylmethyl)acetamide (CID 3547608) is 2-(1H-indol-3-yl)-2-oxo-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-2-oxo-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-2-oxo-N-(thiophen-2-ylmethyl)acetamide is O=C(NCc1cccs1)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indol-3-yl)-2-oxo-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is HKLYSMOJETWKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c18-14(15(19)17-8-10-4-3-7-20-10)12-9-16-13-6-2-1-5-11(12)13/h1-7,9,16H,8H2,(H,17,19).
What are the key properties of 2-(1H-indol-3-yl)-2-oxo-N-(thiophen-2-ylmethyl)acetamide?
2-(1H-indol-3-yl)-2-oxo-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 284.34 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-2-oxo-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 3547608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).