2-(4-aminophenyl)sulfanyl-N-[1-(4-fluorophenyl)ethyl]acetamide

C16H17FN2OS — CID 43299114

IUPAC2-(4-aminophenyl)sulfanyl-N-[1-(4-fluorophenyl)ethyl]acetamide
SMILESCC(NC(=O)CSc1ccc(N)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H17FN2OS/c1-11(12-2-4-13(17)5-3-12)19-16(20)10-21-15-8-6-14(18)7-9-15/h2-9,11H,10,18H2,1H3,(H,19,20)
InChIKeyPNJZIRPGEVNTJO-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.38
Rot. Bonds5

About 2-(4-aminophenyl)sulfanyl-N-[1-(4-fluorophenyl)ethyl]acetamide

2-(4-aminophenyl)sulfanyl-N-[1-(4-fluorophenyl)ethyl]acetamide (PubChem CID 43299114) has the molecular formula C16H17FN2OS and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-(4-aminophenyl)sulfanyl-N-[1-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)sulfanyl-N-[1-(4-fluorophenyl)ethyl]acetamide
PubChem CID43299114
Molecular FormulaC16H17FN2OS
Molecular Weight304.39 g/mol
Exact Mass304.10
IUPAC Name2-(4-aminophenyl)sulfanyl-N-[1-(4-fluorophenyl)ethyl]acetamide
SMILESCC(NC(=O)CSc1ccc(N)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H17FN2OS/c1-11(12-2-4-13(17)5-3-12)19-16(20)10-21-15-8-6-14(18)7-9-15/h2-9,11H,10,18H2,1H3,(H,19,20)
InChIKeyPNJZIRPGEVNTJO-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-(4-ethoxyphenyl)sulfanyl-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 134028864
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 78765448
2-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]sulfanylacetamide
CID 47030874
2-(4-aminophenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
CID 43299357
2-(4-aminophenoxy)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 61026509
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 7284441
3-[[2-(4-fluorophenyl)sulfanylacetyl]amino]butanoic acid
CID 43240732
2-(4-aminophenyl)sulfanyl-N-pentan-3-ylacetamide
CID 54956909
2-(2-amino-4-fluorophenyl)sulfanyl-N-(1-phenylethyl)acetamide
CID 43304215
N-[1-(4-fluorophenyl)ethyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 17444667
N-(1-phenylethyl)-2-phenylsulfanylacetamide
CID 2889950

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)sulfanyl-N-[1-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-(4-aminophenyl)sulfanyl-N-[1-(4-fluorophenyl)ethyl]acetamide (CID 43299114) is 2-(4-aminophenyl)sulfanyl-N-[1-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-aminophenyl)sulfanyl-N-[1-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-aminophenyl)sulfanyl-N-[1-(4-fluorophenyl)ethyl]acetamide is CC(NC(=O)CSc1ccc(N)cc1)c1ccc(F)cc1.
What is the InChIKey of 2-(4-aminophenyl)sulfanyl-N-[1-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is PNJZIRPGEVNTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2OS/c1-11(12-2-4-13(17)5-3-12)19-16(20)10-21-15-8-6-14(18)7-9-15/h2-9,11H,10,18H2,1H3,(H,19,20).
What are the key properties of 2-(4-aminophenyl)sulfanyl-N-[1-(4-fluorophenyl)ethyl]acetamide?
2-(4-aminophenyl)sulfanyl-N-[1-(4-fluorophenyl)ethyl]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-(4-aminophenyl)sulfanyl-N-[1-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 43299114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).