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

C26H34N2O2S — CID 122183512

IUPACN,N-dihexyl-2-oxo-2-(2-thiophen-3-yl-1H-indol-3-yl)acetamide
SMILESCCCCCCN(CCCCCC)C(=O)C(=O)c1c(-c2ccsc2)[nH]c2ccccc12
InChIInChI=1S/C26H34N2O2S/c1-3-5-7-11-16-28(17-12-8-6-4-2)26(30)25(29)23-21-13-9-10-14-22(21)27-24(23)20-15-18-31-19-20/h9-10,13-15,18-19,27H,3-8,11-12,16-17H2,1-2H3
InChIKeyHEYFOMRJCHQHJZ-UHFFFAOYSA-N
MW438.64 g/mol
LogP7.07
Rot. Bonds13

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

N,N-dihexyl-2-oxo-2-(2-thiophen-3-yl-1H-indol-3-yl)acetamide (PubChem CID 122183512) has the molecular formula C26H34N2O2S and a molecular weight of 438.64 g/mol. Its IUPAC name is N,N-dihexyl-2-oxo-2-(2-thiophen-3-yl-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN,N-dihexyl-2-oxo-2-(2-thiophen-3-yl-1H-indol-3-yl)acetamide
PubChem CID122183512
Molecular FormulaC26H34N2O2S
Molecular Weight438.64 g/mol
Exact Mass438.23
IUPAC NameN,N-dihexyl-2-oxo-2-(2-thiophen-3-yl-1H-indol-3-yl)acetamide
SMILESCCCCCCN(CCCCCC)C(=O)C(=O)c1c(-c2ccsc2)[nH]c2ccccc12
InChIInChI=1S/C26H34N2O2S/c1-3-5-7-11-16-28(17-12-8-6-4-2)26(30)25(29)23-21-13-9-10-14-22(21)27-24(23)20-15-18-31-19-20/h9-10,13-15,18-19,27H,3-8,11-12,16-17H2,1-2H3
InChIKeyHEYFOMRJCHQHJZ-UHFFFAOYSA-N
XLogP7.07
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.64
LogP ≤ 57.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dihexyl-2-oxo-2-(2-thiophen-3-yl-1H-indol-3-yl)acetamide?
The IUPAC name of N,N-dihexyl-2-oxo-2-(2-thiophen-3-yl-1H-indol-3-yl)acetamide (CID 122183512) is N,N-dihexyl-2-oxo-2-(2-thiophen-3-yl-1H-indol-3-yl)acetamide.
What is the SMILES notation for N,N-dihexyl-2-oxo-2-(2-thiophen-3-yl-1H-indol-3-yl)acetamide?
The canonical SMILES for N,N-dihexyl-2-oxo-2-(2-thiophen-3-yl-1H-indol-3-yl)acetamide is CCCCCCN(CCCCCC)C(=O)C(=O)c1c(-c2ccsc2)[nH]c2ccccc12.
What is the InChIKey of N,N-dihexyl-2-oxo-2-(2-thiophen-3-yl-1H-indol-3-yl)acetamide?
The InChIKey is HEYFOMRJCHQHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O2S/c1-3-5-7-11-16-28(17-12-8-6-4-2)26(30)25(29)23-21-13-9-10-14-22(21)27-24(23)20-15-18-31-19-20/h9-10,13-15,18-19,27H,3-8,11-12,16-17H2,1-2H3.
What are the key properties of N,N-dihexyl-2-oxo-2-(2-thiophen-3-yl-1H-indol-3-yl)acetamide?
N,N-dihexyl-2-oxo-2-(2-thiophen-3-yl-1H-indol-3-yl)acetamide has a molecular weight of 438.64 g/mol, XLogP of 7.07, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dihexyl-2-oxo-2-(2-thiophen-3-yl-1H-indol-3-yl)acetamide is sourced from PubChem (CID 122183512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).