4-fluoro-N-[3-[1-oxo-1-(pyridin-2-ylamino)propan-2-yl]sulfanylphenyl]benzamide

C21H18FN3O2S — CID 18913065

IUPAC4-fluoro-N-[3-[1-oxo-1-(pyridin-2-ylamino)propan-2-yl]sulfanylphenyl]benzamide
SMILESCC(Sc1cccc(NC(=O)c2ccc(F)cc2)c1)C(=O)Nc1ccccn1
InChIInChI=1S/C21H18FN3O2S/c1-14(20(26)25-19-7-2-3-12-23-19)28-18-6-4-5-17(13-18)24-21(27)15-8-10-16(22)11-9-15/h2-14H,1H3,(H,24,27)(H,23,25,26)
InChIKeyIFIHQENRUNCBSU-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.59
Rot. Bonds6

About 4-fluoro-N-[3-[1-oxo-1-(pyridin-2-ylamino)propan-2-yl]sulfanylphenyl]benzamide

4-fluoro-N-[3-[1-oxo-1-(pyridin-2-ylamino)propan-2-yl]sulfanylphenyl]benzamide (PubChem CID 18913065) has the molecular formula C21H18FN3O2S and a molecular weight of 395.46 g/mol. Its IUPAC name is 4-fluoro-N-[3-[1-oxo-1-(pyridin-2-ylamino)propan-2-yl]sulfanylphenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[3-[1-oxo-1-(pyridin-2-ylamino)propan-2-yl]sulfanylphenyl]benzamide
PubChem CID18913065
Molecular FormulaC21H18FN3O2S
Molecular Weight395.46 g/mol
Exact Mass395.11
IUPAC Name4-fluoro-N-[3-[1-oxo-1-(pyridin-2-ylamino)propan-2-yl]sulfanylphenyl]benzamide
SMILESCC(Sc1cccc(NC(=O)c2ccc(F)cc2)c1)C(=O)Nc1ccccn1
InChIInChI=1S/C21H18FN3O2S/c1-14(20(26)25-19-7-2-3-12-23-19)28-18-6-4-5-17(13-18)24-21(27)15-8-10-16(22)11-9-15/h2-14H,1H3,(H,24,27)(H,23,25,26)
InChIKeyIFIHQENRUNCBSU-UHFFFAOYSA-N
XLogP4.59
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-[1-oxo-1-(pyridin-2-ylamino)propan-2-yl]sulfanylphenyl]benzamide?
The IUPAC name of 4-fluoro-N-[3-[1-oxo-1-(pyridin-2-ylamino)propan-2-yl]sulfanylphenyl]benzamide (CID 18913065) is 4-fluoro-N-[3-[1-oxo-1-(pyridin-2-ylamino)propan-2-yl]sulfanylphenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[3-[1-oxo-1-(pyridin-2-ylamino)propan-2-yl]sulfanylphenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[3-[1-oxo-1-(pyridin-2-ylamino)propan-2-yl]sulfanylphenyl]benzamide is CC(Sc1cccc(NC(=O)c2ccc(F)cc2)c1)C(=O)Nc1ccccn1.
What is the InChIKey of 4-fluoro-N-[3-[1-oxo-1-(pyridin-2-ylamino)propan-2-yl]sulfanylphenyl]benzamide?
The InChIKey is IFIHQENRUNCBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O2S/c1-14(20(26)25-19-7-2-3-12-23-19)28-18-6-4-5-17(13-18)24-21(27)15-8-10-16(22)11-9-15/h2-14H,1H3,(H,24,27)(H,23,25,26).
What are the key properties of 4-fluoro-N-[3-[1-oxo-1-(pyridin-2-ylamino)propan-2-yl]sulfanylphenyl]benzamide?
4-fluoro-N-[3-[1-oxo-1-(pyridin-2-ylamino)propan-2-yl]sulfanylphenyl]benzamide has a molecular weight of 395.46 g/mol, XLogP of 4.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-[1-oxo-1-(pyridin-2-ylamino)propan-2-yl]sulfanylphenyl]benzamide is sourced from PubChem (CID 18913065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).