2-methoxy-N-[2-[3-[[4-(trifluoromethyl)phenyl]methylsulfanyl]indol-1-yl]ethyl]benzamide

C26H23F3N2O2S — CID 4131432

IUPAC2-methoxy-N-[2-[3-[[4-(trifluoromethyl)phenyl]methylsulfanyl]indol-1-yl]ethyl]benzamide
SMILESCOc1ccccc1C(=O)NCCn1cc(SCc2ccc(C(F)(F)F)cc2)c2ccccc21
InChIInChI=1S/C26H23F3N2O2S/c1-33-23-9-5-3-7-21(23)25(32)30-14-15-31-16-24(20-6-2-4-8-22(20)31)34-17-18-10-12-19(13-11-18)26(27,28)29/h2-13,16H,14-15,17H2,1H3,(H,30,32)
InChIKeyLATLGHZWWVNVML-UHFFFAOYSA-N
MW484.54 g/mol
LogP6.39
Rot. Bonds8

About 2-methoxy-N-[2-[3-[[4-(trifluoromethyl)phenyl]methylsulfanyl]indol-1-yl]ethyl]benzamide

2-methoxy-N-[2-[3-[[4-(trifluoromethyl)phenyl]methylsulfanyl]indol-1-yl]ethyl]benzamide (PubChem CID 4131432) has the molecular formula C26H23F3N2O2S and a molecular weight of 484.54 g/mol. Its IUPAC name is 2-methoxy-N-[2-[3-[[4-(trifluoromethyl)phenyl]methylsulfanyl]indol-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[2-[3-[[4-(trifluoromethyl)phenyl]methylsulfanyl]indol-1-yl]ethyl]benzamide
PubChem CID4131432
Molecular FormulaC26H23F3N2O2S
Molecular Weight484.54 g/mol
Exact Mass484.14
IUPAC Name2-methoxy-N-[2-[3-[[4-(trifluoromethyl)phenyl]methylsulfanyl]indol-1-yl]ethyl]benzamide
SMILESCOc1ccccc1C(=O)NCCn1cc(SCc2ccc(C(F)(F)F)cc2)c2ccccc21
InChIInChI=1S/C26H23F3N2O2S/c1-33-23-9-5-3-7-21(23)25(32)30-14-15-31-16-24(20-6-2-4-8-22(20)31)34-17-18-10-12-19(13-11-18)26(27,28)29/h2-13,16H,14-15,17H2,1H3,(H,30,32)
InChIKeyLATLGHZWWVNVML-UHFFFAOYSA-N
XLogP6.39
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.54
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methoxy-N-[2-[3-[[4-(trifluoromethyl)phenyl]methylsulfanyl]indol-1-yl]ethyl]benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-[3-[[4-(trifluoromethyl)phenyl]methylsulfanyl]indol-1-yl]ethyl]benzamide?
The IUPAC name of 2-methoxy-N-[2-[3-[[4-(trifluoromethyl)phenyl]methylsulfanyl]indol-1-yl]ethyl]benzamide (CID 4131432) is 2-methoxy-N-[2-[3-[[4-(trifluoromethyl)phenyl]methylsulfanyl]indol-1-yl]ethyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[2-[3-[[4-(trifluoromethyl)phenyl]methylsulfanyl]indol-1-yl]ethyl]benzamide?
The canonical SMILES for 2-methoxy-N-[2-[3-[[4-(trifluoromethyl)phenyl]methylsulfanyl]indol-1-yl]ethyl]benzamide is COc1ccccc1C(=O)NCCn1cc(SCc2ccc(C(F)(F)F)cc2)c2ccccc21.
What is the InChIKey of 2-methoxy-N-[2-[3-[[4-(trifluoromethyl)phenyl]methylsulfanyl]indol-1-yl]ethyl]benzamide?
The InChIKey is LATLGHZWWVNVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N2O2S/c1-33-23-9-5-3-7-21(23)25(32)30-14-15-31-16-24(20-6-2-4-8-22(20)31)34-17-18-10-12-19(13-11-18)26(27,28)29/h2-13,16H,14-15,17H2,1H3,(H,30,32).
What are the key properties of 2-methoxy-N-[2-[3-[[4-(trifluoromethyl)phenyl]methylsulfanyl]indol-1-yl]ethyl]benzamide?
2-methoxy-N-[2-[3-[[4-(trifluoromethyl)phenyl]methylsulfanyl]indol-1-yl]ethyl]benzamide has a molecular weight of 484.54 g/mol, XLogP of 6.39, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-[3-[[4-(trifluoromethyl)phenyl]methylsulfanyl]indol-1-yl]ethyl]benzamide is sourced from PubChem (CID 4131432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).