2-[(4-chloro-1H-indol-3-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide

C18H17ClN2O2S — CID 162647559

IUPAC2-[(4-chloro-1H-indol-3-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)CSc1c[nH]c2cccc(Cl)c12
InChIInChI=1S/C18H17ClN2O2S/c1-2-23-15-9-4-3-7-13(15)21-17(22)11-24-16-10-20-14-8-5-6-12(19)18(14)16/h3-10,20H,2,11H2,1H3,(H,21,22)
InChIKeyMUXXHIXGEHILJW-UHFFFAOYSA-N
MW360.87 g/mol
LogP4.95
Rot. Bonds6

About 2-[(4-chloro-1H-indol-3-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide

2-[(4-chloro-1H-indol-3-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide (PubChem CID 162647559) has the molecular formula C18H17ClN2O2S and a molecular weight of 360.87 g/mol. Its IUPAC name is 2-[(4-chloro-1H-indol-3-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-chloro-1H-indol-3-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide
PubChem CID162647559
Molecular FormulaC18H17ClN2O2S
Molecular Weight360.87 g/mol
Exact Mass360.07
IUPAC Name2-[(4-chloro-1H-indol-3-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)CSc1c[nH]c2cccc(Cl)c12
InChIInChI=1S/C18H17ClN2O2S/c1-2-23-15-9-4-3-7-13(15)21-17(22)11-24-16-10-20-14-8-5-6-12(19)18(14)16/h3-10,20H,2,11H2,1H3,(H,21,22)
InChIKeyMUXXHIXGEHILJW-UHFFFAOYSA-N
XLogP4.95
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.87
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)sulfanyl-N-(2-ethoxyphenyl)acetamide
CID 2337984
2-[(7-bromo-6-methoxy-1H-indol-3-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide
CID 162667830
N-(3-chloro-2-methylphenyl)-N'-(2-ethoxyphenyl)propanediamide
CID 108955086
2-(2,3-dichlorophenoxy)-N-(2-ethoxyphenyl)acetamide
CID 7372395
N-(3-chloro-2-methylphenyl)-2-(2-ethoxyanilino)acetamide
CID 9101959
[2-(2-ethoxyanilino)-2-oxoethyl] 2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanylbenzoate
CID 3503829
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate
CID 7701704
2-[[5-[(2-chlorophenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethoxyphenyl)acetamide
CID 19631947
N-(2-ethoxyphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide
CID 66102705
N-(2-ethoxyphenyl)-2-[[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 4059356
2-(5-chloro-1H-indol-3-yl)-N-(2-ethoxyphenyl)acetamide
CID 110422156
6-N-(2-chlorophenyl)-2-N-(2-ethoxyphenyl)pyridine-2,6-dicarboxamide
CID 109100812

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-1H-indol-3-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide?
The IUPAC name of 2-[(4-chloro-1H-indol-3-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide (CID 162647559) is 2-[(4-chloro-1H-indol-3-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[(4-chloro-1H-indol-3-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[(4-chloro-1H-indol-3-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide is CCOc1ccccc1NC(=O)CSc1c[nH]c2cccc(Cl)c12.
What is the InChIKey of 2-[(4-chloro-1H-indol-3-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide?
The InChIKey is MUXXHIXGEHILJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2S/c1-2-23-15-9-4-3-7-13(15)21-17(22)11-24-16-10-20-14-8-5-6-12(19)18(14)16/h3-10,20H,2,11H2,1H3,(H,21,22).
What are the key properties of 2-[(4-chloro-1H-indol-3-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide?
2-[(4-chloro-1H-indol-3-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide has a molecular weight of 360.87 g/mol, XLogP of 4.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-1H-indol-3-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide is sourced from PubChem (CID 162647559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).