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

C20H22N2O2S — CID 122183510

IUPAC2-oxo-N,N-dipropyl-2-(2-thiophen-3-yl-1H-indol-3-yl)acetamide
SMILESCCCN(CCC)C(=O)C(=O)c1c(-c2ccsc2)[nH]c2ccccc12
InChIInChI=1S/C20H22N2O2S/c1-3-10-22(11-4-2)20(24)19(23)17-15-7-5-6-8-16(15)21-18(17)14-9-12-25-13-14/h5-9,12-13,21H,3-4,10-11H2,1-2H3
InChIKeyGRVXEMZCNXREFR-UHFFFAOYSA-N
MW354.48 g/mol
LogP4.73
Rot. Bonds7

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

2-oxo-N,N-dipropyl-2-(2-thiophen-3-yl-1H-indol-3-yl)acetamide (PubChem CID 122183510) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is 2-oxo-N,N-dipropyl-2-(2-thiophen-3-yl-1H-indol-3-yl)acetamide.

Molecular Properties

Compound Name2-oxo-N,N-dipropyl-2-(2-thiophen-3-yl-1H-indol-3-yl)acetamide
PubChem CID122183510
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC Name2-oxo-N,N-dipropyl-2-(2-thiophen-3-yl-1H-indol-3-yl)acetamide
SMILESCCCN(CCC)C(=O)C(=O)c1c(-c2ccsc2)[nH]c2ccccc12
InChIInChI=1S/C20H22N2O2S/c1-3-10-22(11-4-2)20(24)19(23)17-15-7-5-6-8-16(15)21-18(17)14-9-12-25-13-14/h5-9,12-13,21H,3-4,10-11H2,1-2H3
InChIKeyGRVXEMZCNXREFR-UHFFFAOYSA-N
XLogP4.73
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N,N-dipropyl-2-(2-thiophen-3-yl-1H-indol-3-yl)acetamide?
The IUPAC name of 2-oxo-N,N-dipropyl-2-(2-thiophen-3-yl-1H-indol-3-yl)acetamide (CID 122183510) is 2-oxo-N,N-dipropyl-2-(2-thiophen-3-yl-1H-indol-3-yl)acetamide.
What is the SMILES notation for 2-oxo-N,N-dipropyl-2-(2-thiophen-3-yl-1H-indol-3-yl)acetamide?
The canonical SMILES for 2-oxo-N,N-dipropyl-2-(2-thiophen-3-yl-1H-indol-3-yl)acetamide is CCCN(CCC)C(=O)C(=O)c1c(-c2ccsc2)[nH]c2ccccc12.
What is the InChIKey of 2-oxo-N,N-dipropyl-2-(2-thiophen-3-yl-1H-indol-3-yl)acetamide?
The InChIKey is GRVXEMZCNXREFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-3-10-22(11-4-2)20(24)19(23)17-15-7-5-6-8-16(15)21-18(17)14-9-12-25-13-14/h5-9,12-13,21H,3-4,10-11H2,1-2H3.
What are the key properties of 2-oxo-N,N-dipropyl-2-(2-thiophen-3-yl-1H-indol-3-yl)acetamide?
2-oxo-N,N-dipropyl-2-(2-thiophen-3-yl-1H-indol-3-yl)acetamide has a molecular weight of 354.48 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N,N-dipropyl-2-(2-thiophen-3-yl-1H-indol-3-yl)acetamide is sourced from PubChem (CID 122183510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).