2-acetamido-3-(4-fluorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide

C17H18FN3O2S — CID 3933506

IUPAC2-acetamido-3-(4-fluorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide
SMILESCC(=O)NC(CSc1ccc(F)cc1)C(=O)NCc1ccccn1
InChIInChI=1S/C17H18FN3O2S/c1-12(22)21-16(11-24-15-7-5-13(18)6-8-15)17(23)20-10-14-4-2-3-9-19-14/h2-9,16H,10-11H2,1H3,(H,20,23)(H,21,22)
InChIKeyQFCYTDXXSVOGSF-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.13
Rot. Bonds7

About 2-acetamido-3-(4-fluorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide

2-acetamido-3-(4-fluorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 3933506) has the molecular formula C17H18FN3O2S and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-acetamido-3-(4-fluorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-acetamido-3-(4-fluorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide
PubChem CID3933506
Molecular FormulaC17H18FN3O2S
Molecular Weight347.42 g/mol
Exact Mass347.11
IUPAC Name2-acetamido-3-(4-fluorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide
SMILESCC(=O)NC(CSc1ccc(F)cc1)C(=O)NCc1ccccn1
InChIInChI=1S/C17H18FN3O2S/c1-12(22)21-16(11-24-15-7-5-13(18)6-8-15)17(23)20-10-14-4-2-3-9-19-14/h2-9,16H,10-11H2,1H3,(H,20,23)(H,21,22)
InChIKeyQFCYTDXXSVOGSF-UHFFFAOYSA-N
XLogP2.13
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetamido-N-benzyl-3-(4-fluorophenyl)sulfanylpropanamide
CID 3441415
2-acetamido-N-(pyridin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]sulfanylpropanamide
CID 4273202
2-acetamido-N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)sulfanylpropanamide
CID 4282411
(2S)-2-(4-fluorophenoxy)-N-(pyridin-2-ylmethyl)propanamide
CID 40697022
(2R)-2-acetamido-3-methyl-N-(pyridin-2-ylmethyl)butanamide
CID 35511470
(2S)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(pyridin-2-ylmethyl)pentanamide
CID 36714136
2-acetamido-3-(4-phenylmethoxyphenyl)sulfanyl-N-(pyridin-3-ylmethyl)propanamide
CID 3917706
2-acetamido-N-benzyl-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide
CID 4528480
2-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpropanamide
CID 110296296
2-acetamido-N-(2-amino-2-oxoethyl)-3-phenylsulfanylpropanamide
CID 3507382
(2S)-2-phenylsulfanyl-N-(pyridin-2-ylmethyl)propanamide
CID 28771750
2-ethyl-N-(pyridin-2-ylmethyl)butanamide
CID 5055685

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(4-fluorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of 2-acetamido-3-(4-fluorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide (CID 3933506) is 2-acetamido-3-(4-fluorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for 2-acetamido-3-(4-fluorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for 2-acetamido-3-(4-fluorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide is CC(=O)NC(CSc1ccc(F)cc1)C(=O)NCc1ccccn1.
What is the InChIKey of 2-acetamido-3-(4-fluorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is QFCYTDXXSVOGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2S/c1-12(22)21-16(11-24-15-7-5-13(18)6-8-15)17(23)20-10-14-4-2-3-9-19-14/h2-9,16H,10-11H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 2-acetamido-3-(4-fluorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide?
2-acetamido-3-(4-fluorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 347.42 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(4-fluorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 3933506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).