N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]-2-phenoxyacetamide

C19H20N2O2S — CID 2156420

IUPACN-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]-2-phenoxyacetamide
SMILESCc1[nH]c2ccccc2c1SCCNC(=O)COc1ccccc1
InChIInChI=1S/C19H20N2O2S/c1-14-19(16-9-5-6-10-17(16)21-14)24-12-11-20-18(22)13-23-15-7-3-2-4-8-15/h2-10,21H,11-13H2,1H3,(H,20,22)
InChIKeyVEYQSFNFJZHTOE-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.76
Rot. Bonds7

About N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]-2-phenoxyacetamide

N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]-2-phenoxyacetamide (PubChem CID 2156420) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]-2-phenoxyacetamide
PubChem CID2156420
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC NameN-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]-2-phenoxyacetamide
SMILESCc1[nH]c2ccccc2c1SCCNC(=O)COc1ccccc1
InChIInChI=1S/C19H20N2O2S/c1-14-19(16-9-5-6-10-17(16)21-14)24-12-11-20-18(22)13-23-15-7-3-2-4-8-15/h2-10,21H,11-13H2,1H3,(H,20,22)
InChIKeyVEYQSFNFJZHTOE-UHFFFAOYSA-N
XLogP3.76
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]-2-phenoxyacetamide 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-methoxy-N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]acetamide
CID 2156487
2-(2,4-dichlorophenoxy)-N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]acetamide
CID 2156468
N-[(2-methyl-1H-indol-3-yl)methyl]-2-phenoxyacetamide
CID 110782317
2-methoxy-N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]acetamide
CID 2156517
N-[2-(4-methylphenyl)sulfanylethyl]-2-phenoxyacetamide
CID 3117798
N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]-4-(2H-tetrazol-5-yl)butanamide
CID 136573372
N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]-3-phenylprop-2-enamide
CID 4061061
2-(4-ethoxyphenyl)-N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]acetamide
CID 3336028
N-[2-[[2-(4-chlorophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-2-naphthalen-2-yloxyacetamide
CID 4610166
N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-2-phenoxyacetamide
CID 113085913
3-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyldisulfanyl]propanoic acid
CID 166422763
1-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]-3-(2-methyltetrazol-5-yl)urea
CID 136573493

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]-2-phenoxyacetamide?
The IUPAC name of N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]-2-phenoxyacetamide (CID 2156420) is N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]-2-phenoxyacetamide is Cc1[nH]c2ccccc2c1SCCNC(=O)COc1ccccc1.
What is the InChIKey of N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]-2-phenoxyacetamide?
The InChIKey is VEYQSFNFJZHTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-14-19(16-9-5-6-10-17(16)21-14)24-12-11-20-18(22)13-23-15-7-3-2-4-8-15/h2-10,21H,11-13H2,1H3,(H,20,22).
What are the key properties of N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]-2-phenoxyacetamide?
N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]-2-phenoxyacetamide has a molecular weight of 340.45 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]-2-phenoxyacetamide is sourced from PubChem (CID 2156420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).