4-[3-(2-fluorophenyl)sulfanylpropanoylamino]benzamide

C16H15FN2O2S — CID 26465908

IUPAC4-[3-(2-fluorophenyl)sulfanylpropanoylamino]benzamide
SMILESNC(=O)c1ccc(NC(=O)CCSc2ccccc2F)cc1
InChIInChI=1S/C16H15FN2O2S/c17-13-3-1-2-4-14(13)22-10-9-15(20)19-12-7-5-11(6-8-12)16(18)21/h1-8H,9-10H2,(H2,18,21)(H,19,20)
InChIKeyHOULTRPTOKOMDE-UHFFFAOYSA-N
MW318.37 g/mol
LogP3.05
Rot. Bonds6

About 4-[3-(2-fluorophenyl)sulfanylpropanoylamino]benzamide

4-[3-(2-fluorophenyl)sulfanylpropanoylamino]benzamide (PubChem CID 26465908) has the molecular formula C16H15FN2O2S and a molecular weight of 318.37 g/mol. Its IUPAC name is 4-[3-(2-fluorophenyl)sulfanylpropanoylamino]benzamide.

Molecular Properties

Compound Name4-[3-(2-fluorophenyl)sulfanylpropanoylamino]benzamide
PubChem CID26465908
Molecular FormulaC16H15FN2O2S
Molecular Weight318.37 g/mol
Exact Mass318.08
IUPAC Name4-[3-(2-fluorophenyl)sulfanylpropanoylamino]benzamide
SMILESNC(=O)c1ccc(NC(=O)CCSc2ccccc2F)cc1
InChIInChI=1S/C16H15FN2O2S/c17-13-3-1-2-4-14(13)22-10-9-15(20)19-12-7-5-11(6-8-12)16(18)21/h1-8H,9-10H2,(H2,18,21)(H,19,20)
InChIKeyHOULTRPTOKOMDE-UHFFFAOYSA-N
XLogP3.05
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetylphenyl)-3-(2-fluorophenyl)sulfanylpropanamide
CID 26465630
N-(4-ethylphenyl)-3-(2-fluorophenyl)sulfanylpropanamide
CID 26721934
N-[4-(cyanomethyl)phenyl]-3-(2-fluorophenyl)sulfanylpropanamide
CID 17473184
3-(2-fluorophenyl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 16567888
3-(2-fluorophenyl)sulfanylpropanehydrazide
CID 43236853
3-(2,4-difluorophenyl)sulfanyl-N-phenylpropanamide
CID 47152940
[2-(4-carbamoylanilino)-2-oxoethyl] 3-(2-chlorophenyl)sulfanylpropanoate
CID 35575333
2-[3-(2-fluorophenyl)sulfanylpropanoylamino]-1,3-thiazole-5-carboxamide
CID 78828524
N-(2-amino-2-oxoethoxy)-3-(2-fluorophenyl)sulfanylpropanamide
CID 112550573
3-[3-(2-fluorophenyl)sulfanylpropanoylamino]-N-pyridin-2-ylbenzamide
CID 60617315
N-(3-chloro-4-methoxyphenyl)-3-(2-fluorophenyl)sulfanylpropanamide
CID 16567918
N-[4-[2-(2-fluorophenyl)sulfanylacetyl]phenyl]propanamide
CID 7964698

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-fluorophenyl)sulfanylpropanoylamino]benzamide?
The IUPAC name of 4-[3-(2-fluorophenyl)sulfanylpropanoylamino]benzamide (CID 26465908) is 4-[3-(2-fluorophenyl)sulfanylpropanoylamino]benzamide.
What is the SMILES notation for 4-[3-(2-fluorophenyl)sulfanylpropanoylamino]benzamide?
The canonical SMILES for 4-[3-(2-fluorophenyl)sulfanylpropanoylamino]benzamide is NC(=O)c1ccc(NC(=O)CCSc2ccccc2F)cc1.
What is the InChIKey of 4-[3-(2-fluorophenyl)sulfanylpropanoylamino]benzamide?
The InChIKey is HOULTRPTOKOMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2S/c17-13-3-1-2-4-14(13)22-10-9-15(20)19-12-7-5-11(6-8-12)16(18)21/h1-8H,9-10H2,(H2,18,21)(H,19,20).
What are the key properties of 4-[3-(2-fluorophenyl)sulfanylpropanoylamino]benzamide?
4-[3-(2-fluorophenyl)sulfanylpropanoylamino]benzamide has a molecular weight of 318.37 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-fluorophenyl)sulfanylpropanoylamino]benzamide is sourced from PubChem (CID 26465908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).