3-[3-(2-fluorophenyl)sulfanylpropanoylamino]-N-pyridin-2-ylbenzamide

C21H18FN3O2S — CID 60617315

IUPAC3-[3-(2-fluorophenyl)sulfanylpropanoylamino]-N-pyridin-2-ylbenzamide
SMILESO=C(CCSc1ccccc1F)Nc1cccc(C(=O)Nc2ccccn2)c1
InChIInChI=1S/C21H18FN3O2S/c22-17-8-1-2-9-18(17)28-13-11-20(26)24-16-7-5-6-15(14-16)21(27)25-19-10-3-4-12-23-19/h1-10,12,14H,11,13H2,(H,24,26)(H,23,25,27)
InChIKeyVATYVCIXWRLFSR-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.59
Rot. Bonds7

About 3-[3-(2-fluorophenyl)sulfanylpropanoylamino]-N-pyridin-2-ylbenzamide

3-[3-(2-fluorophenyl)sulfanylpropanoylamino]-N-pyridin-2-ylbenzamide (PubChem CID 60617315) has the molecular formula C21H18FN3O2S and a molecular weight of 395.46 g/mol. Its IUPAC name is 3-[3-(2-fluorophenyl)sulfanylpropanoylamino]-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name3-[3-(2-fluorophenyl)sulfanylpropanoylamino]-N-pyridin-2-ylbenzamide
PubChem CID60617315
Molecular FormulaC21H18FN3O2S
Molecular Weight395.46 g/mol
Exact Mass395.11
IUPAC Name3-[3-(2-fluorophenyl)sulfanylpropanoylamino]-N-pyridin-2-ylbenzamide
SMILESO=C(CCSc1ccccc1F)Nc1cccc(C(=O)Nc2ccccn2)c1
InChIInChI=1S/C21H18FN3O2S/c22-17-8-1-2-9-18(17)28-13-11-20(26)24-16-7-5-6-15(14-16)21(27)25-19-10-3-4-12-23-19/h1-10,12,14H,11,13H2,(H,24,26)(H,23,25,27)
InChIKeyVATYVCIXWRLFSR-UHFFFAOYSA-N
XLogP4.59
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[3-(2-fluorophenyl)sulfanylpropanoylamino]-N-pyridin-2-ylbenzamide 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

3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]-N-methylbenzamide
CID 18202310
4-[3-(2-fluorophenyl)sulfanylpropanoylamino]benzamide
CID 26465908
3-[(3-bromobenzoyl)amino]-N-pyridin-2-ylbenzamide
CID 3548444
3-[[4-(octanoylamino)benzoyl]amino]-N-pyridin-2-ylbenzamide
CID 4913337
N-(4-acetylphenyl)-3-(2-fluorophenyl)sulfanylpropanamide
CID 26465630
3-[[2-(4-iodophenoxy)acetyl]amino]-N-pyridin-2-ylbenzamide
CID 60617260
3-[(2-phenoxy-2-phenylacetyl)amino]-N-pyridin-2-ylbenzamide
CID 60617071
3-(2-fluorophenyl)sulfanyl-N-(1H-imidazol-2-yl)propanamide
CID 55212765
2-(2-fluorophenyl)sulfanyl-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide
CID 52803481
2-fluoro-N-[3-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]benzamide
CID 18913011
N-(4-ethylphenyl)-3-(2-fluorophenyl)sulfanylpropanamide
CID 26721934
3-(2,4-difluorophenyl)sulfanyl-N-phenylpropanamide
CID 47152940

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-fluorophenyl)sulfanylpropanoylamino]-N-pyridin-2-ylbenzamide?
The IUPAC name of 3-[3-(2-fluorophenyl)sulfanylpropanoylamino]-N-pyridin-2-ylbenzamide (CID 60617315) is 3-[3-(2-fluorophenyl)sulfanylpropanoylamino]-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 3-[3-(2-fluorophenyl)sulfanylpropanoylamino]-N-pyridin-2-ylbenzamide?
The canonical SMILES for 3-[3-(2-fluorophenyl)sulfanylpropanoylamino]-N-pyridin-2-ylbenzamide is O=C(CCSc1ccccc1F)Nc1cccc(C(=O)Nc2ccccn2)c1.
What is the InChIKey of 3-[3-(2-fluorophenyl)sulfanylpropanoylamino]-N-pyridin-2-ylbenzamide?
The InChIKey is VATYVCIXWRLFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O2S/c22-17-8-1-2-9-18(17)28-13-11-20(26)24-16-7-5-6-15(14-16)21(27)25-19-10-3-4-12-23-19/h1-10,12,14H,11,13H2,(H,24,26)(H,23,25,27).
What are the key properties of 3-[3-(2-fluorophenyl)sulfanylpropanoylamino]-N-pyridin-2-ylbenzamide?
3-[3-(2-fluorophenyl)sulfanylpropanoylamino]-N-pyridin-2-ylbenzamide has a molecular weight of 395.46 g/mol, XLogP of 4.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-fluorophenyl)sulfanylpropanoylamino]-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 60617315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).