2-fluoro-5-sulfanyl-N-(1-thiophen-3-ylethyl)benzamide

C13H12FNOS2 — CID 107028724

IUPAC2-fluoro-5-sulfanyl-N-(1-thiophen-3-ylethyl)benzamide
SMILESCC(NC(=O)c1cc(S)ccc1F)c1ccsc1
InChIInChI=1S/C13H12FNOS2/c1-8(9-4-5-18-7-9)15-13(16)11-6-10(17)2-3-12(11)14/h2-8,17H,1H3,(H,15,16)
InChIKeyBZLZLLBREFACEZ-UHFFFAOYSA-N
MW281.38 g/mol
LogP3.67
Rot. Bonds3

About 2-fluoro-5-sulfanyl-N-(1-thiophen-3-ylethyl)benzamide

2-fluoro-5-sulfanyl-N-(1-thiophen-3-ylethyl)benzamide (PubChem CID 107028724) has the molecular formula C13H12FNOS2 and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-fluoro-5-sulfanyl-N-(1-thiophen-3-ylethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-5-sulfanyl-N-(1-thiophen-3-ylethyl)benzamide
PubChem CID107028724
Molecular FormulaC13H12FNOS2
Molecular Weight281.38 g/mol
Exact Mass281.03
IUPAC Name2-fluoro-5-sulfanyl-N-(1-thiophen-3-ylethyl)benzamide
SMILESCC(NC(=O)c1cc(S)ccc1F)c1ccsc1
InChIInChI=1S/C13H12FNOS2/c1-8(9-4-5-18-7-9)15-13(16)11-6-10(17)2-3-12(11)14/h2-8,17H,1H3,(H,15,16)
InChIKeyBZLZLLBREFACEZ-UHFFFAOYSA-N
XLogP3.67
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-fluoro-5-sulfanyl-N-(1-thiophen-3-ylethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-5-fluoro-N-(1-thiophen-3-ylethyl)benzamide
CID 55122299
4-amino-2-chloro-N-(1-thiophen-3-ylethyl)benzamide
CID 62840251
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-fluoro-5-sulfanylbenzamide
CID 107025589
2,4-dibromo-N-(1-thiophen-3-ylethyl)benzamide
CID 107952380
2-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)-5-sulfanylbenzamide
CID 107032027
5-amino-2-methyl-N-(1-thiophen-3-ylethyl)benzamide
CID 55122397
3,6-dichloro-N-(1-thiophen-3-ylethyl)pyridazine-4-carboxamide
CID 114038489
2-(3-aminoprop-1-ynyl)-4-fluoro-N-(1-thiophen-3-ylethyl)benzamide
CID 62842856
5-bromo-N-(1-thiophen-3-ylethyl)thiophene-3-carboxamide
CID 55209412
2-amino-3-methyl-N-(1-thiophen-3-ylethyl)benzamide
CID 62842689
5-chloro-2-fluoro-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
CID 92538270
1-hydroxy-3-(1-thiophen-3-ylethyl)urea
CID 23821299

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-sulfanyl-N-(1-thiophen-3-ylethyl)benzamide?
The IUPAC name of 2-fluoro-5-sulfanyl-N-(1-thiophen-3-ylethyl)benzamide (CID 107028724) is 2-fluoro-5-sulfanyl-N-(1-thiophen-3-ylethyl)benzamide.
What is the SMILES notation for 2-fluoro-5-sulfanyl-N-(1-thiophen-3-ylethyl)benzamide?
The canonical SMILES for 2-fluoro-5-sulfanyl-N-(1-thiophen-3-ylethyl)benzamide is CC(NC(=O)c1cc(S)ccc1F)c1ccsc1.
What is the InChIKey of 2-fluoro-5-sulfanyl-N-(1-thiophen-3-ylethyl)benzamide?
The InChIKey is BZLZLLBREFACEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNOS2/c1-8(9-4-5-18-7-9)15-13(16)11-6-10(17)2-3-12(11)14/h2-8,17H,1H3,(H,15,16).
What are the key properties of 2-fluoro-5-sulfanyl-N-(1-thiophen-3-ylethyl)benzamide?
2-fluoro-5-sulfanyl-N-(1-thiophen-3-ylethyl)benzamide has a molecular weight of 281.38 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-sulfanyl-N-(1-thiophen-3-ylethyl)benzamide is sourced from PubChem (CID 107028724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).