2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide

C14H11F3N2O3S2 — CID 35864916

IUPAC2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCc1cccs1
InChIInChI=1S/C14H11F3N2O3S2/c15-14(16,17)9-3-4-12(11(6-9)19(21)22)24-8-13(20)18-7-10-2-1-5-23-10/h1-6H,7-8H2,(H,18,20)
InChIKeyVWYKUVBRXAEANE-UHFFFAOYSA-N
MW376.38 g/mol
LogP4.08
Rot. Bonds6

About 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide

2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 35864916) has the molecular formula C14H11F3N2O3S2 and a molecular weight of 376.38 g/mol. Its IUPAC name is 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID35864916
Molecular FormulaC14H11F3N2O3S2
Molecular Weight376.38 g/mol
Exact Mass376.02
IUPAC Name2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCc1cccs1
InChIInChI=1S/C14H11F3N2O3S2/c15-14(16,17)9-3-4-12(11(6-9)19(21)22)24-8-13(20)18-7-10-2-1-5-23-10/h1-6H,7-8H2,(H,18,20)
InChIKeyVWYKUVBRXAEANE-UHFFFAOYSA-N
XLogP4.08
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetamide
CID 38135569
N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetamide
CID 24644984
N-hexyl-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetamide
CID 55342281
N-(3-nitrophenyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetamide
CID 26561922
N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-2-thiophen-2-ylacetamide
CID 9276937
N-(3,4-dimethylphenyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetamide
CID 26593858
2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 30474620
2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-N-(4-sulfamoylphenyl)acetamide
CID 18161686
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetamide
CID 24644483
2-(4-amino-2-fluorophenyl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 43303693
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 2484290
N-(2-fluoro-4-methylphenyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetamide
CID 26682778

Frequently Asked Questions

What is the IUPAC name of 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide (CID 35864916) is 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide is O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCc1cccs1.
What is the InChIKey of 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is VWYKUVBRXAEANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O3S2/c15-14(16,17)9-3-4-12(11(6-9)19(21)22)24-8-13(20)18-7-10-2-1-5-23-10/h1-6H,7-8H2,(H,18,20).
What are the key properties of 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 376.38 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 35864916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).