N-prop-2-ynyl-3-(trifluoromethylsulfanyl)benzamide

C11H8F3NOS — CID 154764718

IUPACN-prop-2-ynyl-3-(trifluoromethylsulfanyl)benzamide
SMILESC#CCNC(=O)c1cccc(SC(F)(F)F)c1
InChIInChI=1S/C11H8F3NOS/c1-2-6-15-10(16)8-4-3-5-9(7-8)17-11(12,13)14/h1,3-5,7H,6H2,(H,15,16)
InChIKeyYNMFDQRQFXVTEP-UHFFFAOYSA-N
MW259.25 g/mol
LogP2.66
Rot. Bonds3

About N-prop-2-ynyl-3-(trifluoromethylsulfanyl)benzamide

N-prop-2-ynyl-3-(trifluoromethylsulfanyl)benzamide (PubChem CID 154764718) has the molecular formula C11H8F3NOS and a molecular weight of 259.25 g/mol. Its IUPAC name is N-prop-2-ynyl-3-(trifluoromethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-prop-2-ynyl-3-(trifluoromethylsulfanyl)benzamide
PubChem CID154764718
Molecular FormulaC11H8F3NOS
Molecular Weight259.25 g/mol
Exact Mass259.03
IUPAC NameN-prop-2-ynyl-3-(trifluoromethylsulfanyl)benzamide
SMILESC#CCNC(=O)c1cccc(SC(F)(F)F)c1
InChIInChI=1S/C11H8F3NOS/c1-2-6-15-10(16)8-4-3-5-9(7-8)17-11(12,13)14/h1,3-5,7H,6H2,(H,15,16)
InChIKeyYNMFDQRQFXVTEP-UHFFFAOYSA-N
XLogP2.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.25
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1,1,1-trifluorohex-5-yn-3-yl)-3-(trifluoromethylsulfanyl)benzamide
CID 126820240
1-[3-(trifluoromethylsulfanyl)phenyl]propan-1-one
CID 21325272
3-acetamido-N-prop-2-ynylbenzamide
CID 30601137
N-methoxy-N-methyl-3-(trifluoromethylsulfanyl)benzamide
CID 58962540
3-(methoxymethyl)-N-prop-2-ynylbenzamide
CID 51219689
3-(2-methoxyethoxy)-N-prop-2-ynylbenzamide
CID 60567441
[(2S)-butan-2-yl] 3-(prop-2-ynylcarbamoyl)benzoate
CID 101232510
2-cyano-N-[3-(trifluoromethylsulfanyl)phenyl]acetamide
CID 168524340
N-[3-(diaminomethylideneamino)-4-methylphenyl]-3-(trifluoromethylsulfanyl)benzamide
CID 11523522
3-(cyclopropanecarbonylamino)-N-prop-2-ynylbenzamide
CID 30600577
4-(18F)fluoro-N-prop-2-ynyl(18F)benzamide
CID 87412012
4-amino-3-fluoro-N-prop-2-ynylbenzamide
CID 62678151

Frequently Asked Questions

What is the IUPAC name of N-prop-2-ynyl-3-(trifluoromethylsulfanyl)benzamide?
The IUPAC name of N-prop-2-ynyl-3-(trifluoromethylsulfanyl)benzamide (CID 154764718) is N-prop-2-ynyl-3-(trifluoromethylsulfanyl)benzamide.
What is the SMILES notation for N-prop-2-ynyl-3-(trifluoromethylsulfanyl)benzamide?
The canonical SMILES for N-prop-2-ynyl-3-(trifluoromethylsulfanyl)benzamide is C#CCNC(=O)c1cccc(SC(F)(F)F)c1.
What is the InChIKey of N-prop-2-ynyl-3-(trifluoromethylsulfanyl)benzamide?
The InChIKey is YNMFDQRQFXVTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NOS/c1-2-6-15-10(16)8-4-3-5-9(7-8)17-11(12,13)14/h1,3-5,7H,6H2,(H,15,16).
What are the key properties of N-prop-2-ynyl-3-(trifluoromethylsulfanyl)benzamide?
N-prop-2-ynyl-3-(trifluoromethylsulfanyl)benzamide has a molecular weight of 259.25 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-ynyl-3-(trifluoromethylsulfanyl)benzamide is sourced from PubChem (CID 154764718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).