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

C14H18N2O2S — CID 2156487

IUPAC2-methoxy-N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]acetamide
SMILESCOCC(=O)NCCSc1c(C)[nH]c2ccccc12
InChIInChI=1S/C14H18N2O2S/c1-10-14(11-5-3-4-6-12(11)16-10)19-8-7-15-13(17)9-18-2/h3-6,16H,7-9H2,1-2H3,(H,15,17)
InChIKeyNEHXFSRGBCSPEA-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.33
Rot. Bonds6

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

2-methoxy-N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]acetamide (PubChem CID 2156487) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 2-methoxy-N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]acetamide
PubChem CID2156487
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name2-methoxy-N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]acetamide
SMILESCOCC(=O)NCCSc1c(C)[nH]c2ccccc12
InChIInChI=1S/C14H18N2O2S/c1-10-14(11-5-3-4-6-12(11)16-10)19-8-7-15-13(17)9-18-2/h3-6,16H,7-9H2,1-2H3,(H,15,17)
InChIKeyNEHXFSRGBCSPEA-UHFFFAOYSA-N
XLogP2.33
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methoxy-N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]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-methoxy-N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]acetamide
CID 2156517
N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]-2-phenoxyacetamide
CID 2156420
2-(2,4-dichlorophenoxy)-N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]acetamide
CID 2156468
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
1-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]-3-(2-methyltetrazol-5-yl)urea
CID 136573493
N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789052
2-(4-fluorophenyl)-N-[2-[[2-(4-methylphenyl)-1H-indol-3-yl]sulfanyl]ethyl]acetamide
CID 5183642
2-(2-methyl-1H-indol-3-yl)-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]acetamide
CID 90653269
2-(4-ethoxyphenyl)-N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]acetamide
CID 3336028
N-[(2-methyl-1H-indol-3-yl)methyl]-2-phenoxyacetamide
CID 110782317
2,2-diphenyl-N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]acetamide
CID 4079247

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]acetamide?
The IUPAC name of 2-methoxy-N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]acetamide (CID 2156487) is 2-methoxy-N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]acetamide?
The canonical SMILES for 2-methoxy-N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]acetamide is COCC(=O)NCCSc1c(C)[nH]c2ccccc12.
What is the InChIKey of 2-methoxy-N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]acetamide?
The InChIKey is NEHXFSRGBCSPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-10-14(11-5-3-4-6-12(11)16-10)19-8-7-15-13(17)9-18-2/h3-6,16H,7-9H2,1-2H3,(H,15,17).
What are the key properties of 2-methoxy-N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]acetamide?
2-methoxy-N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]acetamide has a molecular weight of 278.38 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]acetamide is sourced from PubChem (CID 2156487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).