2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide

C25H26F3N3O2S — CID 20902590

IUPAC2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CSc1cn(CC(=O)N2CCCCCC2)c2ccccc12)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H26F3N3O2S/c26-25(27,28)18-8-7-9-19(14-18)29-23(32)17-34-22-15-31(21-11-4-3-10-20(21)22)16-24(33)30-12-5-1-2-6-13-30/h3-4,7-11,14-15H,1-2,5-6,12-13,16-17H2,(H,29,32)
InChIKeyYEFVHPWXANVTKF-UHFFFAOYSA-N
MW489.56 g/mol
LogP5.79
Rot. Bonds6

About 2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide

2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 20902590) has the molecular formula C25H26F3N3O2S and a molecular weight of 489.56 g/mol. Its IUPAC name is 2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID20902590
Molecular FormulaC25H26F3N3O2S
Molecular Weight489.56 g/mol
Exact Mass489.17
IUPAC Name2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CSc1cn(CC(=O)N2CCCCCC2)c2ccccc12)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H26F3N3O2S/c26-25(27,28)18-8-7-9-19(14-18)29-23(32)17-34-22-15-31(21-11-4-3-10-20(21)22)16-24(33)30-12-5-1-2-6-13-30/h3-4,7-11,14-15H,1-2,5-6,12-13,16-17H2,(H,29,32)
InChIKeyYEFVHPWXANVTKF-UHFFFAOYSA-N
XLogP5.79
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.56
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfanyl-N-phenylacetamide
CID 6624315
N-(3-chlorophenyl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfanylacetamide
CID 20902406
N-(4-fluorophenyl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]sulfanylacetamide
CID 20902462
N-methyl-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfanylacetamide
CID 20902440
2-(1-methylindol-3-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 3715457
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfanylacetamide
CID 20902416
1-pyrrolidin-1-yl-2-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]sulfanylethanone
CID 178072281
N-(2-fluorophenyl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfanylacetamide
CID 20902403
N-(2-methylphenyl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]sulfanylacetamide
CID 20902452
2-[4-oxo-3-(3-oxo-3-piperidin-1-ylpropyl)quinazolin-2-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 4096952
1-(azepan-1-yl)-2-[3-(naphthalen-1-ylmethylsulfanyl)indol-1-yl]ethanone
CID 18563345
2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 20902600

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide (CID 20902590) is 2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(CSc1cn(CC(=O)N2CCCCCC2)c2ccccc12)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is YEFVHPWXANVTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N3O2S/c26-25(27,28)18-8-7-9-19(14-18)29-23(32)17-34-22-15-31(21-11-4-3-10-20(21)22)16-24(33)30-12-5-1-2-6-13-30/h3-4,7-11,14-15H,1-2,5-6,12-13,16-17H2,(H,29,32).
What are the key properties of 2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 489.56 g/mol, XLogP of 5.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 20902590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).