2-(2,4-dichlorophenoxy)-N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]acetamide

C19H18Cl2N2O2S — CID 2156468

IUPAC2-(2,4-dichlorophenoxy)-N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]acetamide
SMILESCc1[nH]c2ccccc2c1SCCNC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H18Cl2N2O2S/c1-12-19(14-4-2-3-5-16(14)23-12)26-9-8-22-18(24)11-25-17-7-6-13(20)10-15(17)21/h2-7,10,23H,8-9,11H2,1H3,(H,22,24)
InChIKeyCNJKRJBWMXRBMH-UHFFFAOYSA-N
MW409.34 g/mol
LogP5.07
Rot. Bonds7

About 2-(2,4-dichlorophenoxy)-N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]acetamide

2-(2,4-dichlorophenoxy)-N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]acetamide (PubChem CID 2156468) has the molecular formula C19H18Cl2N2O2S and a molecular weight of 409.34 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]acetamide
PubChem CID2156468
Molecular FormulaC19H18Cl2N2O2S
Molecular Weight409.34 g/mol
Exact Mass408.05
IUPAC Name2-(2,4-dichlorophenoxy)-N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]acetamide
SMILESCc1[nH]c2ccccc2c1SCCNC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H18Cl2N2O2S/c1-12-19(14-4-2-3-5-16(14)23-12)26-9-8-22-18(24)11-25-17-7-6-13(20)10-15(17)21/h2-7,10,23H,8-9,11H2,1H3,(H,22,24)
InChIKeyCNJKRJBWMXRBMH-UHFFFAOYSA-N
XLogP5.07
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.34
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]-2-phenoxyacetamide
CID 2156420
2-methoxy-N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]acetamide
CID 2156487
N-[2-[[2-(4-chlorophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-2-naphthalen-2-yloxyacetamide
CID 4610166
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 7865660
2-(2,4-dichlorophenoxy)-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 110324293
N-benzyl-3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanamide
CID 60608572
N-(2-acetamidoethyl)-2-(2,4-dichlorophenoxy)acetamide
CID 7942051
2-(2,4-dichlorophenoxy)-N-octylacetamide
CID 4555196
N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-(2,4-dichlorophenoxy)acetamide
CID 2283224
5-chloro-N-[2-[[2-(4-chlorophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-2-methoxybenzamide
CID 5115206
2-(2,4-dichlorophenoxy)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 26268404
N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]-4-(2H-tetrazol-5-yl)butanamide
CID 136573372

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]acetamide (CID 2156468) is 2-(2,4-dichlorophenoxy)-N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]acetamide is Cc1[nH]c2ccccc2c1SCCNC(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]acetamide?
The InChIKey is CNJKRJBWMXRBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O2S/c1-12-19(14-4-2-3-5-16(14)23-12)26-9-8-22-18(24)11-25-17-7-6-13(20)10-15(17)21/h2-7,10,23H,8-9,11H2,1H3,(H,22,24).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]acetamide?
2-(2,4-dichlorophenoxy)-N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]acetamide has a molecular weight of 409.34 g/mol, XLogP of 5.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]acetamide is sourced from PubChem (CID 2156468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).