3-(ethylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]propanamide

C12H15F3N2OS — CID 62832181

IUPAC3-(ethylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]propanamide
SMILESCCNCCC(=O)Nc1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C12H15F3N2OS/c1-2-16-8-7-11(18)17-9-3-5-10(6-4-9)19-12(13,14)15/h3-6,16H,2,7-8H2,1H3,(H,17,18)
InChIKeyBVWOBAUALOAORH-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.24
Rot. Bonds6

About 3-(ethylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]propanamide

3-(ethylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]propanamide (PubChem CID 62832181) has the molecular formula C12H15F3N2OS and a molecular weight of 292.33 g/mol. Its IUPAC name is 3-(ethylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]propanamide
PubChem CID62832181
Molecular FormulaC12H15F3N2OS
Molecular Weight292.33 g/mol
Exact Mass292.09
IUPAC Name3-(ethylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]propanamide
SMILESCCNCCC(=O)Nc1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C12H15F3N2OS/c1-2-16-8-7-11(18)17-9-3-5-10(6-4-9)19-12(13,14)15/h3-6,16H,2,7-8H2,1H3,(H,17,18)
InChIKeyBVWOBAUALOAORH-UHFFFAOYSA-N
XLogP3.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(ethylamino)-N-(4-fluorophenyl)propanamide
CID 62832288
5-chloro-N-[4-(trifluoromethylsulfanyl)phenyl]pentanamide
CID 43699502
2-methoxy-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide
CID 60719081
methyl N-[4-[3-(ethylamino)propanoylamino]phenyl]carbamate
CID 62831983
2-(prop-2-ynylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide
CID 79286741
N-[4-(dimethylamino)phenyl]-3-(ethylamino)propanamide
CID 62832499
2-(propan-2-ylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide
CID 60843073
2-[4-[3-(ethylamino)propanoylamino]phenyl]acetic acid
CID 62835723
[4-(trifluoromethylsulfanyl)phenyl]carbamic acid
CID 146357026
N-[4-[(dimethylamino)methyl]phenyl]-3-(ethylamino)propanamide
CID 62833947
N-(4-acetamidophenyl)-3-(propylamino)propanamide
CID 109011595
2-amino-2-methyl-N-[4-(trifluoromethylsulfanyl)phenyl]butanamide
CID 79796566

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]propanamide?
The IUPAC name of 3-(ethylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]propanamide (CID 62832181) is 3-(ethylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]propanamide.
What is the SMILES notation for 3-(ethylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]propanamide?
The canonical SMILES for 3-(ethylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]propanamide is CCNCCC(=O)Nc1ccc(SC(F)(F)F)cc1.
What is the InChIKey of 3-(ethylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]propanamide?
The InChIKey is BVWOBAUALOAORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2OS/c1-2-16-8-7-11(18)17-9-3-5-10(6-4-9)19-12(13,14)15/h3-6,16H,2,7-8H2,1H3,(H,17,18).
What are the key properties of 3-(ethylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]propanamide?
3-(ethylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]propanamide has a molecular weight of 292.33 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]propanamide is sourced from PubChem (CID 62832181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).