2-(prop-2-ynylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide

C12H11F3N2OS — CID 79286741

IUPAC2-(prop-2-ynylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide
SMILESC#CCNCC(=O)Nc1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C12H11F3N2OS/c1-2-7-16-8-11(18)17-9-3-5-10(6-4-9)19-12(13,14)15/h1,3-6,16H,7-8H2,(H,17,18)
InChIKeyQARNUTQYMARJEU-UHFFFAOYSA-N
MW288.29 g/mol
LogP2.46
Rot. Bonds5

About 2-(prop-2-ynylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide

2-(prop-2-ynylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide (PubChem CID 79286741) has the molecular formula C12H11F3N2OS and a molecular weight of 288.29 g/mol. Its IUPAC name is 2-(prop-2-ynylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(prop-2-ynylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide
PubChem CID79286741
Molecular FormulaC12H11F3N2OS
Molecular Weight288.29 g/mol
Exact Mass288.05
IUPAC Name2-(prop-2-ynylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide
SMILESC#CCNCC(=O)Nc1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C12H11F3N2OS/c1-2-7-16-8-11(18)17-9-3-5-10(6-4-9)19-12(13,14)15/h1,3-6,16H,7-8H2,(H,17,18)
InChIKeyQARNUTQYMARJEU-UHFFFAOYSA-N
XLogP2.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetamidophenyl)-2-(prop-2-ynylamino)acetamide
CID 78908561
N-(4-fluorophenyl)-2-(prop-2-ynylamino)acetamide
CID 28563124
2-(propan-2-ylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide
CID 60843073
2-methoxy-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide
CID 60719081
[4-(trifluoromethylsulfanyl)phenyl]carbamic acid
CID 146357026
3-(ethylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]propanamide
CID 62832181
2-(cyclopentylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide
CID 60850132
N-(3-fluoro-4-hydroxyphenyl)-2-(prop-2-ynylamino)acetamide
CID 79271448
N,N-dimethyl-2-[4-[[2-(prop-2-ynylamino)acetyl]amino]phenyl]acetamide
CID 79286921
N-(4-propan-2-yloxyphenyl)-2-(prop-2-ynylamino)acetamide
CID 79286722
N-(4-piperidin-1-ylphenyl)-2-(prop-2-ynylamino)acetamide
CID 78908637
N,N-diethyl-4-[[2-(prop-2-ynylamino)acetyl]amino]benzamide
CID 78908465

Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-ynylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide?
The IUPAC name of 2-(prop-2-ynylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide (CID 79286741) is 2-(prop-2-ynylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide.
What is the SMILES notation for 2-(prop-2-ynylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide?
The canonical SMILES for 2-(prop-2-ynylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide is C#CCNCC(=O)Nc1ccc(SC(F)(F)F)cc1.
What is the InChIKey of 2-(prop-2-ynylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide?
The InChIKey is QARNUTQYMARJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2OS/c1-2-7-16-8-11(18)17-9-3-5-10(6-4-9)19-12(13,14)15/h1,3-6,16H,7-8H2,(H,17,18).
What are the key properties of 2-(prop-2-ynylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide?
2-(prop-2-ynylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide has a molecular weight of 288.29 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-ynylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide is sourced from PubChem (CID 79286741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).