N-(2-amino-2-sulfanylideneethyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide

C13H15F3N2OS — CID 62114873

IUPACN-(2-amino-2-sulfanylideneethyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCCN(CC(N)=S)C(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H15F3N2OS/c1-2-18(8-11(17)20)12(19)7-9-3-5-10(6-4-9)13(14,15)16/h3-6H,2,7-8H2,1H3,(H2,17,20)
InChIKeyAPNJZDIELDCTTA-UHFFFAOYSA-N
MW304.34 g/mol
LogP2.38
Rot. Bonds5

About N-(2-amino-2-sulfanylideneethyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide

N-(2-amino-2-sulfanylideneethyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 62114873) has the molecular formula C13H15F3N2OS and a molecular weight of 304.34 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID62114873
Molecular FormulaC13H15F3N2OS
Molecular Weight304.34 g/mol
Exact Mass304.09
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCCN(CC(N)=S)C(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H15F3N2OS/c1-2-18(8-11(17)20)12(19)7-9-3-5-10(6-4-9)13(14,15)16/h3-6H,2,7-8H2,1H3,(H2,17,20)
InChIKeyAPNJZDIELDCTTA-UHFFFAOYSA-N
XLogP2.38
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-(2,2,2-trifluoroethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 78858653
N-(3-aminopropyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 62114184
N-(2-chloroethyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 63395080
N-(2-amino-2-sulfanylideneethyl)-2-(3,4-dichlorophenyl)-N-ethylacetamide
CID 63045790
N-(2-amino-2-sulfanylideneethyl)-N-ethyl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114908477
N-(2-amino-2-sulfanylideneethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 62114372
N-propyl-N-prop-2-ynyl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 78970529
N-(3-amino-3-sulfanylidenepropyl)-2-(4-bromophenyl)-N-ethylacetamide
CID 54988811
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-phenylacetamide
CID 54988366
[ethyl-[[4-(trifluoromethyl)phenyl]methyl]carbamothioyl]sulfanyl N-ethyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamodithioate
CID 176733101
N-(2-amino-2-sulfanylideneethyl)-N-propyl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114908478
N-(3,4-difluorophenyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 55591847

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide (CID 62114873) is N-(2-amino-2-sulfanylideneethyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide is CCN(CC(N)=S)C(=O)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is APNJZDIELDCTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2OS/c1-2-18(8-11(17)20)12(19)7-9-3-5-10(6-4-9)13(14,15)16/h3-6H,2,7-8H2,1H3,(H2,17,20).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide?
N-(2-amino-2-sulfanylideneethyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 304.34 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-sulfanylideneethyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 62114873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).