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

C21H18FN3O2S — CID 18912993

IUPAC2-fluoro-N-[3-[1-oxo-1-(pyridin-2-ylamino)propan-2-yl]sulfanylphenyl]benzamide
SMILESCC(Sc1cccc(NC(=O)c2ccccc2F)c1)C(=O)Nc1ccccn1
InChIInChI=1S/C21H18FN3O2S/c1-14(20(26)25-19-11-4-5-12-23-19)28-16-8-6-7-15(13-16)24-21(27)17-9-2-3-10-18(17)22/h2-14H,1H3,(H,24,27)(H,23,25,26)
InChIKeyBPXFTYGPRPFGSX-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.59
Rot. Bonds6

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

2-fluoro-N-[3-[1-oxo-1-(pyridin-2-ylamino)propan-2-yl]sulfanylphenyl]benzamide (PubChem CID 18912993) has the molecular formula C21H18FN3O2S and a molecular weight of 395.46 g/mol. Its IUPAC name is 2-fluoro-N-[3-[1-oxo-1-(pyridin-2-ylamino)propan-2-yl]sulfanylphenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[3-[1-oxo-1-(pyridin-2-ylamino)propan-2-yl]sulfanylphenyl]benzamide
PubChem CID18912993
Molecular FormulaC21H18FN3O2S
Molecular Weight395.46 g/mol
Exact Mass395.11
IUPAC Name2-fluoro-N-[3-[1-oxo-1-(pyridin-2-ylamino)propan-2-yl]sulfanylphenyl]benzamide
SMILESCC(Sc1cccc(NC(=O)c2ccccc2F)c1)C(=O)Nc1ccccn1
InChIInChI=1S/C21H18FN3O2S/c1-14(20(26)25-19-11-4-5-12-23-19)28-16-8-6-7-15(13-16)24-21(27)17-9-2-3-10-18(17)22/h2-14H,1H3,(H,24,27)(H,23,25,26)
InChIKeyBPXFTYGPRPFGSX-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 2-fluoro-N-[3-[1-oxo-1-(pyridin-2-ylamino)propan-2-yl]sulfanylphenyl]benzamide?
The IUPAC name of 2-fluoro-N-[3-[1-oxo-1-(pyridin-2-ylamino)propan-2-yl]sulfanylphenyl]benzamide (CID 18912993) is 2-fluoro-N-[3-[1-oxo-1-(pyridin-2-ylamino)propan-2-yl]sulfanylphenyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[3-[1-oxo-1-(pyridin-2-ylamino)propan-2-yl]sulfanylphenyl]benzamide?
The canonical SMILES for 2-fluoro-N-[3-[1-oxo-1-(pyridin-2-ylamino)propan-2-yl]sulfanylphenyl]benzamide is CC(Sc1cccc(NC(=O)c2ccccc2F)c1)C(=O)Nc1ccccn1.
What is the InChIKey of 2-fluoro-N-[3-[1-oxo-1-(pyridin-2-ylamino)propan-2-yl]sulfanylphenyl]benzamide?
The InChIKey is BPXFTYGPRPFGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O2S/c1-14(20(26)25-19-11-4-5-12-23-19)28-16-8-6-7-15(13-16)24-21(27)17-9-2-3-10-18(17)22/h2-14H,1H3,(H,24,27)(H,23,25,26).
What are the key properties of 2-fluoro-N-[3-[1-oxo-1-(pyridin-2-ylamino)propan-2-yl]sulfanylphenyl]benzamide?
2-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 2-fluoro-N-[3-[1-oxo-1-(pyridin-2-ylamino)propan-2-yl]sulfanylphenyl]benzamide is sourced from PubChem (CID 18912993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).