N-(3-methoxypropyl)-2-[2-(trifluoromethylsulfanyl)ethylamino]propanamide

C10H19F3N2O2S — CID 114187739

IUPACN-(3-methoxypropyl)-2-[2-(trifluoromethylsulfanyl)ethylamino]propanamide
SMILESCOCCCNC(=O)C(C)NCCSC(F)(F)F
InChIInChI=1S/C10H19F3N2O2S/c1-8(9(16)15-4-3-6-17-2)14-5-7-18-10(11,12)13/h8,14H,3-7H2,1-2H3,(H,15,16)
InChIKeyISCULJXHGUIHAT-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.37
Rot. Bonds9

About N-(3-methoxypropyl)-2-[2-(trifluoromethylsulfanyl)ethylamino]propanamide

N-(3-methoxypropyl)-2-[2-(trifluoromethylsulfanyl)ethylamino]propanamide (PubChem CID 114187739) has the molecular formula C10H19F3N2O2S and a molecular weight of 288.34 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[2-(trifluoromethylsulfanyl)ethylamino]propanamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[2-(trifluoromethylsulfanyl)ethylamino]propanamide
PubChem CID114187739
Molecular FormulaC10H19F3N2O2S
Molecular Weight288.34 g/mol
Exact Mass288.11
IUPAC NameN-(3-methoxypropyl)-2-[2-(trifluoromethylsulfanyl)ethylamino]propanamide
SMILESCOCCCNC(=O)C(C)NCCSC(F)(F)F
InChIInChI=1S/C10H19F3N2O2S/c1-8(9(16)15-4-3-6-17-2)14-5-7-18-10(11,12)13/h8,14H,3-7H2,1-2H3,(H,15,16)
InChIKeyISCULJXHGUIHAT-UHFFFAOYSA-N
XLogP1.37
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-5-oxo-1,4-thiazepane-3-carboxamide
CID 71798007
2-acetamido-3-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]butanamide
CID 123961001
2-methylsulfanyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide
CID 146414813
N-(3-methoxypropyl)-2-(2,2,2-trifluoroethylamino)propanamide
CID 43116680
N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
CID 54871732
N-ethyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]propanamide
CID 54961714
N-(3-methoxypropyl)-2-(3,3,3-trifluoropropylamino)propanamide
CID 55173399
N-(3-methoxypropyl)-2-[4-[2-(trifluoromethylsulfanyl)acetyl]piperazin-1-yl]acetamide
CID 55650484
N-tert-butyl-2-[[2-(trifluoromethylsulfanyl)acetyl]amino]propanamide
CID 60587391
(2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)butanamide
CID 61163957
(2S)-2-amino-N-methyl-4-methylsulfanyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]butanamide
CID 61165285
(2S)-2-amino-N-(3-ethoxypropyl)-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)butanamide
CID 61165667

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-[2-(trifluoromethylsulfanyl)ethylamino]propanamide?
The IUPAC name of N-(3-methoxypropyl)-2-[2-(trifluoromethylsulfanyl)ethylamino]propanamide (CID 114187739) is N-(3-methoxypropyl)-2-[2-(trifluoromethylsulfanyl)ethylamino]propanamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-[2-(trifluoromethylsulfanyl)ethylamino]propanamide?
The canonical SMILES for N-(3-methoxypropyl)-2-[2-(trifluoromethylsulfanyl)ethylamino]propanamide is COCCCNC(=O)C(C)NCCSC(F)(F)F.
What is the InChIKey of N-(3-methoxypropyl)-2-[2-(trifluoromethylsulfanyl)ethylamino]propanamide?
The InChIKey is ISCULJXHGUIHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2S/c1-8(9(16)15-4-3-6-17-2)14-5-7-18-10(11,12)13/h8,14H,3-7H2,1-2H3,(H,15,16).
What are the key properties of N-(3-methoxypropyl)-2-[2-(trifluoromethylsulfanyl)ethylamino]propanamide?
N-(3-methoxypropyl)-2-[2-(trifluoromethylsulfanyl)ethylamino]propanamide has a molecular weight of 288.34 g/mol, XLogP of 1.37, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-[2-(trifluoromethylsulfanyl)ethylamino]propanamide is sourced from PubChem (CID 114187739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).