3,4-dimethoxy-N-[2-[[2-(4-methoxyphenyl)-1H-indol-3-yl]sulfanyl]ethyl]benzamide

C26H26N2O4S — CID 2156543

IUPAC3,4-dimethoxy-N-[2-[[2-(4-methoxyphenyl)-1H-indol-3-yl]sulfanyl]ethyl]benzamide
SMILESCOc1ccc(-c2[nH]c3ccccc3c2SCCNC(=O)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C26H26N2O4S/c1-30-19-11-8-17(9-12-19)24-25(20-6-4-5-7-21(20)28-24)33-15-14-27-26(29)18-10-13-22(31-2)23(16-18)32-3/h4-13,16,28H,14-15H2,1-3H3,(H,27,29)
InChIKeyPOZLZCKPJURQRP-UHFFFAOYSA-N
MW462.57 g/mol
LogP5.38
Rot. Bonds9

About 3,4-dimethoxy-N-[2-[[2-(4-methoxyphenyl)-1H-indol-3-yl]sulfanyl]ethyl]benzamide

3,4-dimethoxy-N-[2-[[2-(4-methoxyphenyl)-1H-indol-3-yl]sulfanyl]ethyl]benzamide (PubChem CID 2156543) has the molecular formula C26H26N2O4S and a molecular weight of 462.57 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[2-[[2-(4-methoxyphenyl)-1H-indol-3-yl]sulfanyl]ethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[2-[[2-(4-methoxyphenyl)-1H-indol-3-yl]sulfanyl]ethyl]benzamide
PubChem CID2156543
Molecular FormulaC26H26N2O4S
Molecular Weight462.57 g/mol
Exact Mass462.16
IUPAC Name3,4-dimethoxy-N-[2-[[2-(4-methoxyphenyl)-1H-indol-3-yl]sulfanyl]ethyl]benzamide
SMILESCOc1ccc(-c2[nH]c3ccccc3c2SCCNC(=O)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C26H26N2O4S/c1-30-19-11-8-17(9-12-19)24-25(20-6-4-5-7-21(20)28-24)33-15-14-27-26(29)18-10-13-22(31-2)23(16-18)32-3/h4-13,16,28H,14-15H2,1-3H3,(H,27,29)
InChIKeyPOZLZCKPJURQRP-UHFFFAOYSA-N
XLogP5.38
TPSA72.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.57
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3,4-dimethoxy-N-[2-[[2-(4-methoxyphenyl)-1H-indol-3-yl]sulfanyl]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 3,4-dimethoxy-N-[2-[[2-(4-methoxyphenyl)-1H-indol-3-yl]sulfanyl]ethyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[2-[[2-(4-methoxyphenyl)-1H-indol-3-yl]sulfanyl]ethyl]benzamide (CID 2156543) is 3,4-dimethoxy-N-[2-[[2-(4-methoxyphenyl)-1H-indol-3-yl]sulfanyl]ethyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[2-[[2-(4-methoxyphenyl)-1H-indol-3-yl]sulfanyl]ethyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[2-[[2-(4-methoxyphenyl)-1H-indol-3-yl]sulfanyl]ethyl]benzamide is COc1ccc(-c2[nH]c3ccccc3c2SCCNC(=O)c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of 3,4-dimethoxy-N-[2-[[2-(4-methoxyphenyl)-1H-indol-3-yl]sulfanyl]ethyl]benzamide?
The InChIKey is POZLZCKPJURQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O4S/c1-30-19-11-8-17(9-12-19)24-25(20-6-4-5-7-21(20)28-24)33-15-14-27-26(29)18-10-13-22(31-2)23(16-18)32-3/h4-13,16,28H,14-15H2,1-3H3,(H,27,29).
What are the key properties of 3,4-dimethoxy-N-[2-[[2-(4-methoxyphenyl)-1H-indol-3-yl]sulfanyl]ethyl]benzamide?
3,4-dimethoxy-N-[2-[[2-(4-methoxyphenyl)-1H-indol-3-yl]sulfanyl]ethyl]benzamide has a molecular weight of 462.57 g/mol, XLogP of 5.38, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[2-[[2-(4-methoxyphenyl)-1H-indol-3-yl]sulfanyl]ethyl]benzamide is sourced from PubChem (CID 2156543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).