3-(ethylamino)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]butanamide

C14H19F3N2OS — CID 62839170

IUPAC3-(ethylamino)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]butanamide
SMILESCCNC(C)CC(=O)Nc1ccccc1SCC(F)(F)F
InChIInChI=1S/C14H19F3N2OS/c1-3-18-10(2)8-13(20)19-11-6-4-5-7-12(11)21-9-14(15,16)17/h4-7,10,18H,3,8-9H2,1-2H3,(H,19,20)
InChIKeyQYHBURQPLJAOKK-UHFFFAOYSA-N
MW320.38 g/mol
LogP3.67
Rot. Bonds7

About 3-(ethylamino)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]butanamide

3-(ethylamino)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]butanamide (PubChem CID 62839170) has the molecular formula C14H19F3N2OS and a molecular weight of 320.38 g/mol. Its IUPAC name is 3-(ethylamino)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]butanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]butanamide
PubChem CID62839170
Molecular FormulaC14H19F3N2OS
Molecular Weight320.38 g/mol
Exact Mass320.12
IUPAC Name3-(ethylamino)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]butanamide
SMILESCCNC(C)CC(=O)Nc1ccccc1SCC(F)(F)F
InChIInChI=1S/C14H19F3N2OS/c1-3-18-10(2)8-13(20)19-11-6-4-5-7-12(11)21-9-14(15,16)17/h4-7,10,18H,3,8-9H2,1-2H3,(H,19,20)
InChIKeyQYHBURQPLJAOKK-UHFFFAOYSA-N
XLogP3.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]pentanamide
CID 79192003
2-chloro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide
CID 43167988
3-(ethylamino)-N-[2-(trifluoromethoxy)phenyl]butanamide
CID 62837697
4-oxo-4-[2-(2,2,2-trifluoroethylsulfanyl)anilino]butanoic acid
CID 43579901
(2S)-2-amino-3-methyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]butanamide
CID 61179824
3-acetamido-3-(4-chlorophenyl)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]propanamide
CID 46531618
2-methyl-N-[2-[[2-(2,2,2-trifluoroethylsulfanyl)phenyl]carbamoylamino]ethyl]propanamide
CID 47033314
N-[2-(2-amino-2-oxoethyl)phenyl]-3-(ethylamino)butanamide
CID 62837196
methyl 2-[3-(ethylamino)butanoylamino]benzoate
CID 62838261
(2S)-2-amino-3,3-dimethyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]butanamide
CID 61180010
2,2,2-trifluoroethyl N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]carbamate
CID 65173849
N-(2-acetylphenyl)-2-[2-(2,2,2-trifluoroethylsulfanyl)anilino]acetamide
CID 46538000

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]butanamide?
The IUPAC name of 3-(ethylamino)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]butanamide (CID 62839170) is 3-(ethylamino)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]butanamide.
What is the SMILES notation for 3-(ethylamino)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]butanamide?
The canonical SMILES for 3-(ethylamino)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]butanamide is CCNC(C)CC(=O)Nc1ccccc1SCC(F)(F)F.
What is the InChIKey of 3-(ethylamino)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]butanamide?
The InChIKey is QYHBURQPLJAOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2OS/c1-3-18-10(2)8-13(20)19-11-6-4-5-7-12(11)21-9-14(15,16)17/h4-7,10,18H,3,8-9H2,1-2H3,(H,19,20).
What are the key properties of 3-(ethylamino)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]butanamide?
3-(ethylamino)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]butanamide has a molecular weight of 320.38 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]butanamide is sourced from PubChem (CID 62839170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).