2-(2-amino-4-fluorophenyl)sulfanyl-N-(1-phenylethyl)acetamide

C16H17FN2OS — CID 43304215

IUPAC2-(2-amino-4-fluorophenyl)sulfanyl-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CSc1ccc(F)cc1N)c1ccccc1
InChIInChI=1S/C16H17FN2OS/c1-11(12-5-3-2-4-6-12)19-16(20)10-21-15-8-7-13(17)9-14(15)18/h2-9,11H,10,18H2,1H3,(H,19,20)
InChIKeyHJZNKVPIQOSQDC-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.38
Rot. Bonds5

About 2-(2-amino-4-fluorophenyl)sulfanyl-N-(1-phenylethyl)acetamide

2-(2-amino-4-fluorophenyl)sulfanyl-N-(1-phenylethyl)acetamide (PubChem CID 43304215) has the molecular formula C16H17FN2OS and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-(2-amino-4-fluorophenyl)sulfanyl-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-4-fluorophenyl)sulfanyl-N-(1-phenylethyl)acetamide
PubChem CID43304215
Molecular FormulaC16H17FN2OS
Molecular Weight304.39 g/mol
Exact Mass304.10
IUPAC Name2-(2-amino-4-fluorophenyl)sulfanyl-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CSc1ccc(F)cc1N)c1ccccc1
InChIInChI=1S/C16H17FN2OS/c1-11(12-5-3-2-4-6-12)19-16(20)10-21-15-8-7-13(17)9-14(15)18/h2-9,11H,10,18H2,1H3,(H,19,20)
InChIKeyHJZNKVPIQOSQDC-UHFFFAOYSA-N
XLogP3.38
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluorophenyl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 894218
2-(2-amino-5-bromophenyl)sulfanyl-N-(1-phenylethyl)acetamide
CID 79519416
2-(2-methylphenyl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 9330226
2-(2-methylphenyl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 9330230
2-(2-methoxyphenyl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 52772198
2-(2,4-dimethylphenyl)sulfanyl-N-(1-phenylethyl)acetamide
CID 6915473
2-(4-aminophenyl)sulfanyl-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 43299114
methyl N-[2-(2-amino-4-fluorophenyl)sulfanylacetyl]carbamate
CID 43304109
N-(1-phenylethyl)-2-phenylsulfanylacetamide
CID 2889950
2-(2,4-difluorophenyl)sulfanyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 8633334
2-(2,4-difluorophenyl)sulfanyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 8633335
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 78765448

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-fluorophenyl)sulfanyl-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-(2-amino-4-fluorophenyl)sulfanyl-N-(1-phenylethyl)acetamide (CID 43304215) is 2-(2-amino-4-fluorophenyl)sulfanyl-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-(2-amino-4-fluorophenyl)sulfanyl-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-(2-amino-4-fluorophenyl)sulfanyl-N-(1-phenylethyl)acetamide is CC(NC(=O)CSc1ccc(F)cc1N)c1ccccc1.
What is the InChIKey of 2-(2-amino-4-fluorophenyl)sulfanyl-N-(1-phenylethyl)acetamide?
The InChIKey is HJZNKVPIQOSQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2OS/c1-11(12-5-3-2-4-6-12)19-16(20)10-21-15-8-7-13(17)9-14(15)18/h2-9,11H,10,18H2,1H3,(H,19,20).
What are the key properties of 2-(2-amino-4-fluorophenyl)sulfanyl-N-(1-phenylethyl)acetamide?
2-(2-amino-4-fluorophenyl)sulfanyl-N-(1-phenylethyl)acetamide has a molecular weight of 304.39 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-fluorophenyl)sulfanyl-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 43304215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).