4-[[(2R)-2-(2,4-difluorophenyl)sulfanylpropanoyl]amino]benzamide

C16H14F2N2O2S — CID 9046418

IUPAC4-[[(2R)-2-(2,4-difluorophenyl)sulfanylpropanoyl]amino]benzamide
SMILESC[C@@H](Sc1ccc(F)cc1F)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C16H14F2N2O2S/c1-9(23-14-7-4-11(17)8-13(14)18)16(22)20-12-5-2-10(3-6-12)15(19)21/h2-9H,1H3,(H2,19,21)(H,20,22)/t9-/m1/s1
InChIKeyVUNDMGACZDFQTF-SECBINFHSA-N
MW336.36 g/mol
LogP3.18
Rot. Bonds5

About 4-[[(2R)-2-(2,4-difluorophenyl)sulfanylpropanoyl]amino]benzamide

4-[[(2R)-2-(2,4-difluorophenyl)sulfanylpropanoyl]amino]benzamide (PubChem CID 9046418) has the molecular formula C16H14F2N2O2S and a molecular weight of 336.36 g/mol. Its IUPAC name is 4-[[(2R)-2-(2,4-difluorophenyl)sulfanylpropanoyl]amino]benzamide.

Molecular Properties

Compound Name4-[[(2R)-2-(2,4-difluorophenyl)sulfanylpropanoyl]amino]benzamide
PubChem CID9046418
Molecular FormulaC16H14F2N2O2S
Molecular Weight336.36 g/mol
Exact Mass336.07
IUPAC Name4-[[(2R)-2-(2,4-difluorophenyl)sulfanylpropanoyl]amino]benzamide
SMILESC[C@@H](Sc1ccc(F)cc1F)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C16H14F2N2O2S/c1-9(23-14-7-4-11(17)8-13(14)18)16(22)20-12-5-2-10(3-6-12)15(19)21/h2-9H,1H3,(H2,19,21)(H,20,22)/t9-/m1/s1
InChIKeyVUNDMGACZDFQTF-SECBINFHSA-N
XLogP3.18
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminophenyl)-2-(2,4-difluorophenyl)sulfanylpropanamide
CID 43345467
(2S)-2-(2,4-difluorophenyl)sulfanyl-N-(3-fluorophenyl)propanamide
CID 8975115
N-(3-aminophenyl)-2-(2,4-difluorophenyl)sulfanylpropanamide
CID 43345469
N-[4-[(2R)-2-(2,4-difluorophenyl)sulfanylpropanoyl]phenyl]acetamide
CID 8837256
(2R)-N-(2,4-difluorophenyl)-2-(2,4-difluorophenyl)sulfanylpropanamide
CID 8975147
2-(2,4-difluorophenyl)sulfanyl-N-(9,10-dioxoanthracen-2-yl)propanamide
CID 60597843
(2S)-2-(2,4-difluorophenyl)sulfanylpropanamide
CID 9046479
4-[[(2S)-2-(4-acetamidophenyl)sulfanylpropanoyl]amino]benzamide
CID 7999917
(2S)-2-(2,4-difluorophenyl)sulfanyl-N-[3-(dimethylsulfamoyl)phenyl]propanamide
CID 9046565
4-[[(2S)-2-(3,4-dimethylphenyl)sulfanylpropanoyl]amino]benzamide
CID 8633884
4-[[(2R)-2-(4-fluoroanilino)propanoyl]amino]benzamide
CID 32736130
4-[2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]propanoylamino]benzamide
CID 55532709

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-2-(2,4-difluorophenyl)sulfanylpropanoyl]amino]benzamide?
The IUPAC name of 4-[[(2R)-2-(2,4-difluorophenyl)sulfanylpropanoyl]amino]benzamide (CID 9046418) is 4-[[(2R)-2-(2,4-difluorophenyl)sulfanylpropanoyl]amino]benzamide.
What is the SMILES notation for 4-[[(2R)-2-(2,4-difluorophenyl)sulfanylpropanoyl]amino]benzamide?
The canonical SMILES for 4-[[(2R)-2-(2,4-difluorophenyl)sulfanylpropanoyl]amino]benzamide is C[C@@H](Sc1ccc(F)cc1F)C(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[[(2R)-2-(2,4-difluorophenyl)sulfanylpropanoyl]amino]benzamide?
The InChIKey is VUNDMGACZDFQTF-SECBINFHSA-N. The full InChI is InChI=1S/C16H14F2N2O2S/c1-9(23-14-7-4-11(17)8-13(14)18)16(22)20-12-5-2-10(3-6-12)15(19)21/h2-9H,1H3,(H2,19,21)(H,20,22)/t9-/m1/s1.
What are the key properties of 4-[[(2R)-2-(2,4-difluorophenyl)sulfanylpropanoyl]amino]benzamide?
4-[[(2R)-2-(2,4-difluorophenyl)sulfanylpropanoyl]amino]benzamide has a molecular weight of 336.36 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-2-(2,4-difluorophenyl)sulfanylpropanoyl]amino]benzamide is sourced from PubChem (CID 9046418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).