N-(2,3,4-trifluorophenyl)thiolane-2-carboxamide

C11H10F3NOS — CID 110865134

IUPACN-(2,3,4-trifluorophenyl)thiolane-2-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)C1CCCS1
InChIInChI=1S/C11H10F3NOS/c12-6-3-4-7(10(14)9(6)13)15-11(16)8-2-1-5-17-8/h3-4,8H,1-2,5H2,(H,15,16)
InChIKeyRBBIJNXCLAIOES-UHFFFAOYSA-N
MW261.27 g/mol
LogP2.94
Rot. Bonds2

About N-(2,3,4-trifluorophenyl)thiolane-2-carboxamide

N-(2,3,4-trifluorophenyl)thiolane-2-carboxamide (PubChem CID 110865134) has the molecular formula C11H10F3NOS and a molecular weight of 261.27 g/mol. Its IUPAC name is N-(2,3,4-trifluorophenyl)thiolane-2-carboxamide.

Molecular Properties

Compound NameN-(2,3,4-trifluorophenyl)thiolane-2-carboxamide
PubChem CID110865134
Molecular FormulaC11H10F3NOS
Molecular Weight261.27 g/mol
Exact Mass261.04
IUPAC NameN-(2,3,4-trifluorophenyl)thiolane-2-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)C1CCCS1
InChIInChI=1S/C11H10F3NOS/c12-6-3-4-7(10(14)9(6)13)15-11(16)8-2-1-5-17-8/h3-4,8H,1-2,5H2,(H,15,16)
InChIKeyRBBIJNXCLAIOES-UHFFFAOYSA-N
XLogP2.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluorophenyl)thiane-2-carboxamide
CID 110858566
N-(4-chloro-2-iodophenyl)thiolane-2-carboxamide
CID 103766813
N-(4-amino-2-fluorophenyl)thiane-2-carboxamide
CID 80594241
N-(2,3,4-trifluorophenyl)-1,3,5-trithiane-2-carboxamide
CID 716822
N-(2,4-dimethylphenyl)thiolane-2-carboxamide
CID 110857194
N-[3-fluoro-2-(N'-hydroxycarbamimidoyl)phenyl]thiolane-2-carboxamide
CID 77021578
N-(3-hydroxy-2-methylphenyl)thiolane-2-carboxamide
CID 64795110
3-(thiolane-2-carbonylamino)pyridine-2-carboxylic acid
CID 104740447
N-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]thiane-2-carboxamide
CID 80594944
3-oxo-N-(2,3,4-trifluorophenyl)cyclopentane-1-carboxamide
CID 171323930
1-(2-hydroxycyclohexyl)-3-(2,3,4-trifluorophenyl)urea
CID 75948763
methyl 4-[(2,3,4-trifluorophenyl)carbamoyl]piperidine-1-carboxylate
CID 110754252

Frequently Asked Questions

What is the IUPAC name of N-(2,3,4-trifluorophenyl)thiolane-2-carboxamide?
The IUPAC name of N-(2,3,4-trifluorophenyl)thiolane-2-carboxamide (CID 110865134) is N-(2,3,4-trifluorophenyl)thiolane-2-carboxamide.
What is the SMILES notation for N-(2,3,4-trifluorophenyl)thiolane-2-carboxamide?
The canonical SMILES for N-(2,3,4-trifluorophenyl)thiolane-2-carboxamide is O=C(Nc1ccc(F)c(F)c1F)C1CCCS1.
What is the InChIKey of N-(2,3,4-trifluorophenyl)thiolane-2-carboxamide?
The InChIKey is RBBIJNXCLAIOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NOS/c12-6-3-4-7(10(14)9(6)13)15-11(16)8-2-1-5-17-8/h3-4,8H,1-2,5H2,(H,15,16).
What are the key properties of N-(2,3,4-trifluorophenyl)thiolane-2-carboxamide?
N-(2,3,4-trifluorophenyl)thiolane-2-carboxamide has a molecular weight of 261.27 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,4-trifluorophenyl)thiolane-2-carboxamide is sourced from PubChem (CID 110865134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).