2-(3-aminophenyl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide

C15H13F3N2OS — CID 18894238

IUPAC2-(3-aminophenyl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESNc1cccc(SCC(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C15H13F3N2OS/c16-15(17,18)10-3-1-5-12(7-10)20-14(21)9-22-13-6-2-4-11(19)8-13/h1-8H,9,19H2,(H,20,21)
InChIKeyCUDKBBPDOPYYBA-UHFFFAOYSA-N
MW326.34 g/mol
LogP4.02
Rot. Bonds4

About 2-(3-aminophenyl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide

2-(3-aminophenyl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 18894238) has the molecular formula C15H13F3N2OS and a molecular weight of 326.34 g/mol. Its IUPAC name is 2-(3-aminophenyl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-aminophenyl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID18894238
Molecular FormulaC15H13F3N2OS
Molecular Weight326.34 g/mol
Exact Mass326.07
IUPAC Name2-(3-aminophenyl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESNc1cccc(SCC(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C15H13F3N2OS/c16-15(17,18)10-3-1-5-12(7-10)20-14(21)9-22-13-6-2-4-11(19)8-13/h1-8H,9,19H2,(H,20,21)
InChIKeyCUDKBBPDOPYYBA-UHFFFAOYSA-N
XLogP4.02
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.34
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(3-aminophenyl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide (CID 18894238) is 2-(3-aminophenyl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(3-aminophenyl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(3-aminophenyl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide is Nc1cccc(SCC(=O)Nc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 2-(3-aminophenyl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is CUDKBBPDOPYYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2OS/c16-15(17,18)10-3-1-5-12(7-10)20-14(21)9-22-13-6-2-4-11(19)8-13/h1-8H,9,19H2,(H,20,21).
What are the key properties of 2-(3-aminophenyl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide?
2-(3-aminophenyl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 326.34 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 18894238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).