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

C22H26N2O2S — CID 122183511

IUPACN,N-dibutyl-2-oxo-2-(2-thiophen-3-yl-1H-indol-3-yl)acetamide
SMILESCCCCN(CCCC)C(=O)C(=O)c1c(-c2ccsc2)[nH]c2ccccc12
InChIInChI=1S/C22H26N2O2S/c1-3-5-12-24(13-6-4-2)22(26)21(25)19-17-9-7-8-10-18(17)23-20(19)16-11-14-27-15-16/h7-11,14-15,23H,3-6,12-13H2,1-2H3
InChIKeyQDBIDTQWZDWFSS-UHFFFAOYSA-N
MW382.53 g/mol
LogP5.51
Rot. Bonds9

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

N,N-dibutyl-2-oxo-2-(2-thiophen-3-yl-1H-indol-3-yl)acetamide (PubChem CID 122183511) has the molecular formula C22H26N2O2S and a molecular weight of 382.53 g/mol. Its IUPAC name is N,N-dibutyl-2-oxo-2-(2-thiophen-3-yl-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN,N-dibutyl-2-oxo-2-(2-thiophen-3-yl-1H-indol-3-yl)acetamide
PubChem CID122183511
Molecular FormulaC22H26N2O2S
Molecular Weight382.53 g/mol
Exact Mass382.17
IUPAC NameN,N-dibutyl-2-oxo-2-(2-thiophen-3-yl-1H-indol-3-yl)acetamide
SMILESCCCCN(CCCC)C(=O)C(=O)c1c(-c2ccsc2)[nH]c2ccccc12
InChIInChI=1S/C22H26N2O2S/c1-3-5-12-24(13-6-4-2)22(26)21(25)19-17-9-7-8-10-18(17)23-20(19)16-11-14-27-15-16/h7-11,14-15,23H,3-6,12-13H2,1-2H3
InChIKeyQDBIDTQWZDWFSS-UHFFFAOYSA-N
XLogP5.51
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.53
LogP ≤ 55.51
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 N,N-dibutyl-2-oxo-2-(2-thiophen-3-yl-1H-indol-3-yl)acetamide?
The IUPAC name of N,N-dibutyl-2-oxo-2-(2-thiophen-3-yl-1H-indol-3-yl)acetamide (CID 122183511) is N,N-dibutyl-2-oxo-2-(2-thiophen-3-yl-1H-indol-3-yl)acetamide.
What is the SMILES notation for N,N-dibutyl-2-oxo-2-(2-thiophen-3-yl-1H-indol-3-yl)acetamide?
The canonical SMILES for N,N-dibutyl-2-oxo-2-(2-thiophen-3-yl-1H-indol-3-yl)acetamide is CCCCN(CCCC)C(=O)C(=O)c1c(-c2ccsc2)[nH]c2ccccc12.
What is the InChIKey of N,N-dibutyl-2-oxo-2-(2-thiophen-3-yl-1H-indol-3-yl)acetamide?
The InChIKey is QDBIDTQWZDWFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2S/c1-3-5-12-24(13-6-4-2)22(26)21(25)19-17-9-7-8-10-18(17)23-20(19)16-11-14-27-15-16/h7-11,14-15,23H,3-6,12-13H2,1-2H3.
What are the key properties of N,N-dibutyl-2-oxo-2-(2-thiophen-3-yl-1H-indol-3-yl)acetamide?
N,N-dibutyl-2-oxo-2-(2-thiophen-3-yl-1H-indol-3-yl)acetamide has a molecular weight of 382.53 g/mol, XLogP of 5.51, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-2-oxo-2-(2-thiophen-3-yl-1H-indol-3-yl)acetamide is sourced from PubChem (CID 122183511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).