(2S)-N-(3-acetamido-4-fluorophenyl)-2-pyrimidin-2-ylsulfanylpropanamide

C15H15FN4O2S — CID 94033104

IUPAC(2S)-N-(3-acetamido-4-fluorophenyl)-2-pyrimidin-2-ylsulfanylpropanamide
SMILESCC(=O)Nc1cc(NC(=O)[C@H](C)Sc2ncccn2)ccc1F
InChIInChI=1S/C15H15FN4O2S/c1-9(23-15-17-6-3-7-18-15)14(22)20-11-4-5-12(16)13(8-11)19-10(2)21/h3-9H,1-2H3,(H,19,21)(H,20,22)/t9-/m0/s1
InChIKeyYHMAJYFPAQJUEJ-VIFPVBQESA-N
MW334.38 g/mol
LogP2.69
Rot. Bonds5

About (2S)-N-(3-acetamido-4-fluorophenyl)-2-pyrimidin-2-ylsulfanylpropanamide

(2S)-N-(3-acetamido-4-fluorophenyl)-2-pyrimidin-2-ylsulfanylpropanamide (PubChem CID 94033104) has the molecular formula C15H15FN4O2S and a molecular weight of 334.38 g/mol. Its IUPAC name is (2S)-N-(3-acetamido-4-fluorophenyl)-2-pyrimidin-2-ylsulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-(3-acetamido-4-fluorophenyl)-2-pyrimidin-2-ylsulfanylpropanamide
PubChem CID94033104
Molecular FormulaC15H15FN4O2S
Molecular Weight334.38 g/mol
Exact Mass334.09
IUPAC Name(2S)-N-(3-acetamido-4-fluorophenyl)-2-pyrimidin-2-ylsulfanylpropanamide
SMILESCC(=O)Nc1cc(NC(=O)[C@H](C)Sc2ncccn2)ccc1F
InChIInChI=1S/C15H15FN4O2S/c1-9(23-15-17-6-3-7-18-15)14(22)20-11-4-5-12(16)13(8-11)19-10(2)21/h3-9H,1-2H3,(H,19,21)(H,20,22)/t9-/m0/s1
InChIKeyYHMAJYFPAQJUEJ-VIFPVBQESA-N
XLogP2.69
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetamido-4-fluorophenyl)-2,2-difluoroacetamide
CID 113220904
N-(2,5-dichlorophenyl)-2-pyrimidin-2-ylsulfanylpropanamide
CID 18075928
N-[2-fluoro-5-(1-pyridin-2-ylethylamino)phenyl]acetamide
CID 60928627
N-(3-acetamido-4-fluorophenyl)-2-bromo-3-methylbutanamide
CID 43347135
N-(3-amino-4-fluorophenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 43187475
N-(3-acetamido-4-fluorophenyl)-2-fluoropyridine-3-carboxamide
CID 107358587
N-[2-fluoro-5-(1-pyridin-4-ylethylamino)phenyl]acetamide
CID 60927576
N-(3-acetamido-4-fluorophenyl)-3-aminopyridine-2-carboxamide
CID 104741465
(2S)-N-(3,4-difluorophenyl)-2-phenylsulfanylpropanamide
CID 970786
(2S)-N-(4-acetamidophenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide
CID 9055622
(2R)-N-(3-chloro-4-fluorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide
CID 41417259
N-(5-amino-2-fluorophenyl)-2-pyrimidin-4-ylsulfanylpropanamide
CID 63698509

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-acetamido-4-fluorophenyl)-2-pyrimidin-2-ylsulfanylpropanamide?
The IUPAC name of (2S)-N-(3-acetamido-4-fluorophenyl)-2-pyrimidin-2-ylsulfanylpropanamide (CID 94033104) is (2S)-N-(3-acetamido-4-fluorophenyl)-2-pyrimidin-2-ylsulfanylpropanamide.
What is the SMILES notation for (2S)-N-(3-acetamido-4-fluorophenyl)-2-pyrimidin-2-ylsulfanylpropanamide?
The canonical SMILES for (2S)-N-(3-acetamido-4-fluorophenyl)-2-pyrimidin-2-ylsulfanylpropanamide is CC(=O)Nc1cc(NC(=O)[C@H](C)Sc2ncccn2)ccc1F.
What is the InChIKey of (2S)-N-(3-acetamido-4-fluorophenyl)-2-pyrimidin-2-ylsulfanylpropanamide?
The InChIKey is YHMAJYFPAQJUEJ-VIFPVBQESA-N. The full InChI is InChI=1S/C15H15FN4O2S/c1-9(23-15-17-6-3-7-18-15)14(22)20-11-4-5-12(16)13(8-11)19-10(2)21/h3-9H,1-2H3,(H,19,21)(H,20,22)/t9-/m0/s1.
What are the key properties of (2S)-N-(3-acetamido-4-fluorophenyl)-2-pyrimidin-2-ylsulfanylpropanamide?
(2S)-N-(3-acetamido-4-fluorophenyl)-2-pyrimidin-2-ylsulfanylpropanamide has a molecular weight of 334.38 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-acetamido-4-fluorophenyl)-2-pyrimidin-2-ylsulfanylpropanamide is sourced from PubChem (CID 94033104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).