2-acetamido-N-benzyl-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide

C19H21FN2O2S — CID 4528480

IUPAC2-acetamido-N-benzyl-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide
SMILESCC(=O)NC(CSc1ccc(F)cc1)C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C19H21FN2O2S/c1-14(23)21-18(13-25-17-10-8-16(20)9-11-17)19(24)22(2)12-15-6-4-3-5-7-15/h3-11,18H,12-13H2,1-2H3,(H,21,23)
InChIKeyGPYAZIGALPEHKF-UHFFFAOYSA-N
MW360.45 g/mol
LogP3.08
Rot. Bonds7

About 2-acetamido-N-benzyl-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide

2-acetamido-N-benzyl-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide (PubChem CID 4528480) has the molecular formula C19H21FN2O2S and a molecular weight of 360.45 g/mol. Its IUPAC name is 2-acetamido-N-benzyl-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide.

Molecular Properties

Compound Name2-acetamido-N-benzyl-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide
PubChem CID4528480
Molecular FormulaC19H21FN2O2S
Molecular Weight360.45 g/mol
Exact Mass360.13
IUPAC Name2-acetamido-N-benzyl-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide
SMILESCC(=O)NC(CSc1ccc(F)cc1)C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C19H21FN2O2S/c1-14(23)21-18(13-25-17-10-8-16(20)9-11-17)19(24)22(2)12-15-6-4-3-5-7-15/h3-11,18H,12-13H2,1-2H3,(H,21,23)
InChIKeyGPYAZIGALPEHKF-UHFFFAOYSA-N
XLogP3.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamido-N-benzyl-3-(4-fluorophenyl)sulfanylpropanamide
CID 3441415
2-acetamido-N-benzyl-3-(4-methylphenyl)sulfanyl-N-(2-phenylethyl)propanamide
CID 4030996
2-acetamido-N-butyl-N-methyl-3-phenylsulfanylpropanamide
CID 3435227
2-acetamido-N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)sulfanylpropanamide
CID 4282411
N-benzyl-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide
CID 112760111
(2R)-N-[(4-fluorophenyl)methyl]-N-methyl-2-phenylpropanamide
CID 124598211
2-acetamido-3-(4-methylsulfanylphenyl)sulfanylpropanoic acid
CID 21322489
2-acetamido-N-(2-phenylethyl)-3-phenylsulfanylpropanamide
CID 4286385
methyl (2R)-2-acetamido-3-phenylsulfanylpropanoate
CID 2723737
2-acetamido-3-(4-fluorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide
CID 3933506
2-hydroxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-phenylacetamide
CID 110879948
acetic acid;N-benzyl-2-hydroxy-N-methyl-2-phenylacetamide
CID 67863072

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-benzyl-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide?
The IUPAC name of 2-acetamido-N-benzyl-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide (CID 4528480) is 2-acetamido-N-benzyl-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide.
What is the SMILES notation for 2-acetamido-N-benzyl-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide?
The canonical SMILES for 2-acetamido-N-benzyl-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide is CC(=O)NC(CSc1ccc(F)cc1)C(=O)N(C)Cc1ccccc1.
What is the InChIKey of 2-acetamido-N-benzyl-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide?
The InChIKey is GPYAZIGALPEHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2S/c1-14(23)21-18(13-25-17-10-8-16(20)9-11-17)19(24)22(2)12-15-6-4-3-5-7-15/h3-11,18H,12-13H2,1-2H3,(H,21,23).
What are the key properties of 2-acetamido-N-benzyl-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide?
2-acetamido-N-benzyl-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide has a molecular weight of 360.45 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-benzyl-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide is sourced from PubChem (CID 4528480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).