2-[(7-bromo-6-methoxy-1H-indol-3-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide

C19H19BrN2O3S — CID 162667830

IUPAC2-[(7-bromo-6-methoxy-1H-indol-3-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)CSc1c[nH]c2c(Br)c(OC)ccc12
InChIInChI=1S/C19H19BrN2O3S/c1-3-25-14-7-5-4-6-13(14)22-17(23)11-26-16-10-21-19-12(16)8-9-15(24-2)18(19)20/h4-10,21H,3,11H2,1-2H3,(H,22,23)
InChIKeyWGQFNIFLUPSIRU-UHFFFAOYSA-N
MW435.34 g/mol
LogP5.07
Rot. Bonds7

About 2-[(7-bromo-6-methoxy-1H-indol-3-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide

2-[(7-bromo-6-methoxy-1H-indol-3-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide (PubChem CID 162667830) has the molecular formula C19H19BrN2O3S and a molecular weight of 435.34 g/mol. Its IUPAC name is 2-[(7-bromo-6-methoxy-1H-indol-3-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(7-bromo-6-methoxy-1H-indol-3-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide
PubChem CID162667830
Molecular FormulaC19H19BrN2O3S
Molecular Weight435.34 g/mol
Exact Mass434.03
IUPAC Name2-[(7-bromo-6-methoxy-1H-indol-3-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)CSc1c[nH]c2c(Br)c(OC)ccc12
InChIInChI=1S/C19H19BrN2O3S/c1-3-25-14-7-5-4-6-13(14)22-17(23)11-26-16-10-21-19-12(16)8-9-15(24-2)18(19)20/h4-10,21H,3,11H2,1-2H3,(H,22,23)
InChIKeyWGQFNIFLUPSIRU-UHFFFAOYSA-N
XLogP5.07
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.34
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(7-bromo-6-methoxy-1H-indol-3-yl)sulfanyl]-N-(2-ethoxyphenyl)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-[(4-chloro-1H-indol-3-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide
CID 162647559
2-(2-chlorophenyl)sulfanyl-N-(2-ethoxyphenyl)acetamide
CID 2337984
(2R)-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-N-(2-methoxyphenyl)propanamide
CID 1412136
2-[2-(2-bromoanilino)-2-oxoethyl]sulfanyl-N-(2-ethoxyphenyl)acetamide
CID 40913778
N-(2-ethoxyphenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide
CID 46302952
2-[[2-(2-methoxyanilino)-2-oxoethyl]disulfanyl]-N-(2-methoxyphenyl)acetamide
CID 2346844
[2-(2-ethoxyanilino)-2-oxoethyl] 2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanylbenzoate
CID 3503829
N-(2-ethoxyphenyl)-2-(2-methoxyphenoxy)acetamide
CID 3891399
2-(2-bromoethylsulfanyl)-N-(2-ethoxyphenyl)acetamide
CID 92936508
2-(1-bromonaphthalen-2-yl)oxy-N-(2-methoxyphenyl)acetamide
CID 7642319
N-(2-ethoxyphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide
CID 66102705
2-(2-amino-4-bromophenyl)sulfanyl-N-(2-methoxyphenyl)acetamide
CID 43306176

Frequently Asked Questions

What is the IUPAC name of 2-[(7-bromo-6-methoxy-1H-indol-3-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide?
The IUPAC name of 2-[(7-bromo-6-methoxy-1H-indol-3-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide (CID 162667830) is 2-[(7-bromo-6-methoxy-1H-indol-3-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[(7-bromo-6-methoxy-1H-indol-3-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[(7-bromo-6-methoxy-1H-indol-3-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide is CCOc1ccccc1NC(=O)CSc1c[nH]c2c(Br)c(OC)ccc12.
What is the InChIKey of 2-[(7-bromo-6-methoxy-1H-indol-3-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide?
The InChIKey is WGQFNIFLUPSIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O3S/c1-3-25-14-7-5-4-6-13(14)22-17(23)11-26-16-10-21-19-12(16)8-9-15(24-2)18(19)20/h4-10,21H,3,11H2,1-2H3,(H,22,23).
What are the key properties of 2-[(7-bromo-6-methoxy-1H-indol-3-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide?
2-[(7-bromo-6-methoxy-1H-indol-3-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide has a molecular weight of 435.34 g/mol, XLogP of 5.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-bromo-6-methoxy-1H-indol-3-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide is sourced from PubChem (CID 162667830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).