2-acetamido-N-benzyl-3-(4-fluorophenyl)sulfanylpropanamide

C18H19FN2O2S — CID 3441415

IUPAC2-acetamido-N-benzyl-3-(4-fluorophenyl)sulfanylpropanamide
SMILESCC(=O)NC(CSc1ccc(F)cc1)C(=O)NCc1ccccc1
InChIInChI=1S/C18H19FN2O2S/c1-13(22)21-17(12-24-16-9-7-15(19)8-10-16)18(23)20-11-14-5-3-2-4-6-14/h2-10,17H,11-12H2,1H3,(H,20,23)(H,21,22)
InChIKeyICENQWMDBCKVRB-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.74
Rot. Bonds7

About 2-acetamido-N-benzyl-3-(4-fluorophenyl)sulfanylpropanamide

2-acetamido-N-benzyl-3-(4-fluorophenyl)sulfanylpropanamide (PubChem CID 3441415) has the molecular formula C18H19FN2O2S and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-acetamido-N-benzyl-3-(4-fluorophenyl)sulfanylpropanamide.

Molecular Properties

Compound Name2-acetamido-N-benzyl-3-(4-fluorophenyl)sulfanylpropanamide
PubChem CID3441415
Molecular FormulaC18H19FN2O2S
Molecular Weight346.43 g/mol
Exact Mass346.12
IUPAC Name2-acetamido-N-benzyl-3-(4-fluorophenyl)sulfanylpropanamide
SMILESCC(=O)NC(CSc1ccc(F)cc1)C(=O)NCc1ccccc1
InChIInChI=1S/C18H19FN2O2S/c1-13(22)21-17(12-24-16-9-7-15(19)8-10-16)18(23)20-11-14-5-3-2-4-6-14/h2-10,17H,11-12H2,1H3,(H,20,23)(H,21,22)
InChIKeyICENQWMDBCKVRB-UHFFFAOYSA-N
XLogP2.74
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamido-3-(4-fluorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide
CID 3933506
2-acetamido-N-benzyl-3-[3-(trifluoromethyl)phenyl]sulfanylpropanamide
CID 4544086
2-acetamido-N-(2-phenylethyl)-3-phenylsulfanylpropanamide
CID 4286385
2-acetamido-N-benzyl-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide
CID 4528480
2-acetamido-N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)sulfanylpropanamide
CID 4282411
(2R)-2-acetamido-N-benzyl-3-(benzyldisulfanyl)propanamide
CID 102043629
2-acetamido-3-(4-phenylmethoxyphenyl)sulfanyl-N-(pyridin-3-ylmethyl)propanamide
CID 3917706
2-acetamido-N-(2-amino-2-oxoethyl)-3-phenylsulfanylpropanamide
CID 3507382
2-acetamido-3-(4-methylsulfanylphenyl)sulfanylpropanoic acid
CID 21322489
(2R)-2-acetamido-N-benzyl-3-(trideuteriomethoxy)propanamide
CID 45110082
2-acetamido-N-heptyl-3-(4-phenylmethoxyphenyl)sulfanylpropanamide
CID 4029386
2-[[3-(4-fluorophenyl)sulfanyl-2-methylpropanoyl]amino]propanoic acid
CID 119349017

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-benzyl-3-(4-fluorophenyl)sulfanylpropanamide?
The IUPAC name of 2-acetamido-N-benzyl-3-(4-fluorophenyl)sulfanylpropanamide (CID 3441415) is 2-acetamido-N-benzyl-3-(4-fluorophenyl)sulfanylpropanamide.
What is the SMILES notation for 2-acetamido-N-benzyl-3-(4-fluorophenyl)sulfanylpropanamide?
The canonical SMILES for 2-acetamido-N-benzyl-3-(4-fluorophenyl)sulfanylpropanamide is CC(=O)NC(CSc1ccc(F)cc1)C(=O)NCc1ccccc1.
What is the InChIKey of 2-acetamido-N-benzyl-3-(4-fluorophenyl)sulfanylpropanamide?
The InChIKey is ICENQWMDBCKVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2S/c1-13(22)21-17(12-24-16-9-7-15(19)8-10-16)18(23)20-11-14-5-3-2-4-6-14/h2-10,17H,11-12H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 2-acetamido-N-benzyl-3-(4-fluorophenyl)sulfanylpropanamide?
2-acetamido-N-benzyl-3-(4-fluorophenyl)sulfanylpropanamide has a molecular weight of 346.43 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-benzyl-3-(4-fluorophenyl)sulfanylpropanamide is sourced from PubChem (CID 3441415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).