N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(furan-2-ylmethylamino)-2-sulfanylideneacetamide

C14H10ClF3N2O2S — CID 2824691

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(furan-2-ylmethylamino)-2-sulfanylideneacetamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1Cl)C(=S)NCc1ccco1
InChIInChI=1S/C14H10ClF3N2O2S/c15-10-4-3-8(14(16,17)18)6-11(10)20-12(21)13(23)19-7-9-2-1-5-22-9/h1-6H,7H2,(H,19,23)(H,20,21)
InChIKeyKNEHGLCCAWOWRR-UHFFFAOYSA-N
MW362.76 g/mol
LogP4.01
Rot. Bonds3

About N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(furan-2-ylmethylamino)-2-sulfanylideneacetamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(furan-2-ylmethylamino)-2-sulfanylideneacetamide (PubChem CID 2824691) has the molecular formula C14H10ClF3N2O2S and a molecular weight of 362.76 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(furan-2-ylmethylamino)-2-sulfanylideneacetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(furan-2-ylmethylamino)-2-sulfanylideneacetamide
PubChem CID2824691
Molecular FormulaC14H10ClF3N2O2S
Molecular Weight362.76 g/mol
Exact Mass362.01
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(furan-2-ylmethylamino)-2-sulfanylideneacetamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1Cl)C(=S)NCc1ccco1
InChIInChI=1S/C14H10ClF3N2O2S/c15-10-4-3-8(14(16,17)18)6-11(10)20-12(21)13(23)19-7-9-2-1-5-22-9/h1-6H,7H2,(H,19,23)(H,20,21)
InChIKeyKNEHGLCCAWOWRR-UHFFFAOYSA-N
XLogP4.01
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.76
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(furan-2-ylmethylamino)-2-sulfanylideneacetamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(furan-2-ylmethylamino)-2-sulfanylideneacetamide (CID 2824691) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(furan-2-ylmethylamino)-2-sulfanylideneacetamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(furan-2-ylmethylamino)-2-sulfanylideneacetamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(furan-2-ylmethylamino)-2-sulfanylideneacetamide is O=C(Nc1cc(C(F)(F)F)ccc1Cl)C(=S)NCc1ccco1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(furan-2-ylmethylamino)-2-sulfanylideneacetamide?
The InChIKey is KNEHGLCCAWOWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3N2O2S/c15-10-4-3-8(14(16,17)18)6-11(10)20-12(21)13(23)19-7-9-2-1-5-22-9/h1-6H,7H2,(H,19,23)(H,20,21).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(furan-2-ylmethylamino)-2-sulfanylideneacetamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(furan-2-ylmethylamino)-2-sulfanylideneacetamide has a molecular weight of 362.76 g/mol, XLogP of 4.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(furan-2-ylmethylamino)-2-sulfanylideneacetamide is sourced from PubChem (CID 2824691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).