2-methyl-3-(3,4,5-trimethoxyphenyl)sulfanyl-1H-indole

C18H19NO3S — CID 16738250

IUPAC2-methyl-3-(3,4,5-trimethoxyphenyl)sulfanyl-1H-indole
SMILESCOc1cc(Sc2c(C)[nH]c3ccccc23)cc(OC)c1OC
InChIInChI=1S/C18H19NO3S/c1-11-18(13-7-5-6-8-14(13)19-11)23-12-9-15(20-2)17(22-4)16(10-12)21-3/h5-10,19H,1-4H3
InChIKeyWCNQVCLIDIFKRF-UHFFFAOYSA-N
MW329.42 g/mol
LogP4.65
Rot. Bonds5

About 2-methyl-3-(3,4,5-trimethoxyphenyl)sulfanyl-1H-indole

2-methyl-3-(3,4,5-trimethoxyphenyl)sulfanyl-1H-indole (PubChem CID 16738250) has the molecular formula C18H19NO3S and a molecular weight of 329.42 g/mol. Its IUPAC name is 2-methyl-3-(3,4,5-trimethoxyphenyl)sulfanyl-1H-indole.

Molecular Properties

Compound Name2-methyl-3-(3,4,5-trimethoxyphenyl)sulfanyl-1H-indole
PubChem CID16738250
Molecular FormulaC18H19NO3S
Molecular Weight329.42 g/mol
Exact Mass329.11
IUPAC Name2-methyl-3-(3,4,5-trimethoxyphenyl)sulfanyl-1H-indole
SMILESCOc1cc(Sc2c(C)[nH]c3ccccc23)cc(OC)c1OC
InChIInChI=1S/C18H19NO3S/c1-11-18(13-7-5-6-8-14(13)19-11)23-12-9-15(20-2)17(22-4)16(10-12)21-3/h5-10,19H,1-4H3
InChIKeyWCNQVCLIDIFKRF-UHFFFAOYSA-N
XLogP4.65
TPSA43.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(3,4,5-trimethoxyphenyl)sulfanyl-1H-indole?
The IUPAC name of 2-methyl-3-(3,4,5-trimethoxyphenyl)sulfanyl-1H-indole (CID 16738250) is 2-methyl-3-(3,4,5-trimethoxyphenyl)sulfanyl-1H-indole.
What is the SMILES notation for 2-methyl-3-(3,4,5-trimethoxyphenyl)sulfanyl-1H-indole?
The canonical SMILES for 2-methyl-3-(3,4,5-trimethoxyphenyl)sulfanyl-1H-indole is COc1cc(Sc2c(C)[nH]c3ccccc23)cc(OC)c1OC.
What is the InChIKey of 2-methyl-3-(3,4,5-trimethoxyphenyl)sulfanyl-1H-indole?
The InChIKey is WCNQVCLIDIFKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3S/c1-11-18(13-7-5-6-8-14(13)19-11)23-12-9-15(20-2)17(22-4)16(10-12)21-3/h5-10,19H,1-4H3.
What are the key properties of 2-methyl-3-(3,4,5-trimethoxyphenyl)sulfanyl-1H-indole?
2-methyl-3-(3,4,5-trimethoxyphenyl)sulfanyl-1H-indole has a molecular weight of 329.42 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(3,4,5-trimethoxyphenyl)sulfanyl-1H-indole is sourced from PubChem (CID 16738250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).