N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(1H-indol-3-yl)acetamide

C19H19FN2OS — CID 8743519

IUPACN-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)NCCSCc1ccccc1F
InChIInChI=1S/C19H19FN2OS/c20-17-7-3-1-5-14(17)13-24-10-9-21-19(23)11-15-12-22-18-8-4-2-6-16(15)18/h1-8,12,22H,9-11,13H2,(H,21,23)
InChIKeyUGEPGVNENYIVOY-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.90
Rot. Bonds7

About N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(1H-indol-3-yl)acetamide

N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(1H-indol-3-yl)acetamide (PubChem CID 8743519) has the molecular formula C19H19FN2OS and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(1H-indol-3-yl)acetamide
PubChem CID8743519
Molecular FormulaC19H19FN2OS
Molecular Weight342.44 g/mol
Exact Mass342.12
IUPAC NameN-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)NCCSCc1ccccc1F
InChIInChI=1S/C19H19FN2OS/c20-17-7-3-1-5-14(17)13-24-10-9-21-19(23)11-15-12-22-18-8-4-2-6-16(15)18/h1-8,12,22H,9-11,13H2,(H,21,23)
InChIKeyUGEPGVNENYIVOY-UHFFFAOYSA-N
XLogP3.90
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-fluorophenyl)methyl]-2-(1H-indol-3-yl)acetamide
CID 3562962
4-fluoro-N-[2-[2-[(2-fluorophenyl)methylsulfanyl]ethylamino]-2-oxoethyl]benzamide
CID 46653260
N'-[(2-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide
CID 108531516
N-[2-(N-acetyl-2,6-difluoroanilino)ethyl]-2-(1H-indol-3-yl)acetamide
CID 113064521
2-(2-aminoethylsulfanyl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 84553422
N-[2-(4-chlorophenyl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 2114473
N-[2-(1H-indol-3-yl)ethyl]-2-naphthalen-1-ylacetamide
CID 20969018
methyl 3-[[2-(1H-indol-3-yl)acetyl]amino]propanoate
CID 2539049
2-(1H-indol-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 20969118
N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-2-(2-fluorophenyl)acetamide
CID 100635401
N-[4-(4-fluorophenoxy)butyl]-2-(1H-indol-3-yl)acetamide
CID 17405014
(2R)-2-amino-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]propanamide
CID 119271967

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(1H-indol-3-yl)acetamide (CID 8743519) is N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(1H-indol-3-yl)acetamide is O=C(Cc1c[nH]c2ccccc12)NCCSCc1ccccc1F.
What is the InChIKey of N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(1H-indol-3-yl)acetamide?
The InChIKey is UGEPGVNENYIVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2OS/c20-17-7-3-1-5-14(17)13-24-10-9-21-19(23)11-15-12-22-18-8-4-2-6-16(15)18/h1-8,12,22H,9-11,13H2,(H,21,23).
What are the key properties of N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(1H-indol-3-yl)acetamide?
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(1H-indol-3-yl)acetamide has a molecular weight of 342.44 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 8743519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).