(2R)-2-[3-(4-fluorophenyl)sulfanylpropanoylamino]-3-phenylpropanamide

C18H19FN2O2S — CID 95288076

IUPAC(2R)-2-[3-(4-fluorophenyl)sulfanylpropanoylamino]-3-phenylpropanamide
SMILESNC(=O)[C@@H](Cc1ccccc1)NC(=O)CCSc1ccc(F)cc1
InChIInChI=1S/C18H19FN2O2S/c19-14-6-8-15(9-7-14)24-11-10-17(22)21-16(18(20)23)12-13-4-2-1-3-5-13/h1-9,16H,10-12H2,(H2,20,23)(H,21,22)/t16-/m1/s1
InChIKeyWUPZPUYBLAGOTH-MRXNPFEDSA-N
MW346.43 g/mol
LogP2.52
Rot. Bonds8

About (2R)-2-[3-(4-fluorophenyl)sulfanylpropanoylamino]-3-phenylpropanamide

(2R)-2-[3-(4-fluorophenyl)sulfanylpropanoylamino]-3-phenylpropanamide (PubChem CID 95288076) has the molecular formula C18H19FN2O2S and a molecular weight of 346.43 g/mol. Its IUPAC name is (2R)-2-[3-(4-fluorophenyl)sulfanylpropanoylamino]-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-[3-(4-fluorophenyl)sulfanylpropanoylamino]-3-phenylpropanamide
PubChem CID95288076
Molecular FormulaC18H19FN2O2S
Molecular Weight346.43 g/mol
Exact Mass346.12
IUPAC Name(2R)-2-[3-(4-fluorophenyl)sulfanylpropanoylamino]-3-phenylpropanamide
SMILESNC(=O)[C@@H](Cc1ccccc1)NC(=O)CCSc1ccc(F)cc1
InChIInChI=1S/C18H19FN2O2S/c19-14-6-8-15(9-7-14)24-11-10-17(22)21-16(18(20)23)12-13-4-2-1-3-5-13/h1-9,16H,10-12H2,(H2,20,23)(H,21,22)/t16-/m1/s1
InChIKeyWUPZPUYBLAGOTH-MRXNPFEDSA-N
XLogP2.52
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[3-(2,5-difluorophenyl)propanoylamino]-3-phenylpropanamide
CID 94818763
5-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-5-oxopentanoic acid
CID 123313269
(2S)-2-[3-(4-fluorophenyl)sulfanylpropanoylamino]-3-(1H-indol-3-yl)propanoic acid
CID 41119824
(2S)-2-[3-(4-fluorophenyl)sulfanylpropanoylamino]hexanoic acid
CID 107143886
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-N'-hydroxyoctanediamide
CID 11002177
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-methylpent-4-enamide
CID 145273756
[(2R)-2-[3-(4-fluorophenyl)sulfanylpropanoylamino]-2-phenylethyl]-dimethylazanium
CID 8937610
(2R)-2-[3-(2-chlorophenoxy)propanoylamino]-3-phenylpropanamide
CID 95158067
2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-3-phenylpropanamide
CID 48731838
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]octadecanamide
CID 54545084
3-(4-fluorophenyl)sulfanyl-N'-phenylpropanehydrazide
CID 102604414
3-(4-fluorophenyl)sulfanyl-N-[(2R)-1-hydroxybutan-2-yl]propanamide
CID 103920317

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(4-fluorophenyl)sulfanylpropanoylamino]-3-phenylpropanamide?
The IUPAC name of (2R)-2-[3-(4-fluorophenyl)sulfanylpropanoylamino]-3-phenylpropanamide (CID 95288076) is (2R)-2-[3-(4-fluorophenyl)sulfanylpropanoylamino]-3-phenylpropanamide.
What is the SMILES notation for (2R)-2-[3-(4-fluorophenyl)sulfanylpropanoylamino]-3-phenylpropanamide?
The canonical SMILES for (2R)-2-[3-(4-fluorophenyl)sulfanylpropanoylamino]-3-phenylpropanamide is NC(=O)[C@@H](Cc1ccccc1)NC(=O)CCSc1ccc(F)cc1.
What is the InChIKey of (2R)-2-[3-(4-fluorophenyl)sulfanylpropanoylamino]-3-phenylpropanamide?
The InChIKey is WUPZPUYBLAGOTH-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H19FN2O2S/c19-14-6-8-15(9-7-14)24-11-10-17(22)21-16(18(20)23)12-13-4-2-1-3-5-13/h1-9,16H,10-12H2,(H2,20,23)(H,21,22)/t16-/m1/s1.
What are the key properties of (2R)-2-[3-(4-fluorophenyl)sulfanylpropanoylamino]-3-phenylpropanamide?
(2R)-2-[3-(4-fluorophenyl)sulfanylpropanoylamino]-3-phenylpropanamide has a molecular weight of 346.43 g/mol, XLogP of 2.52, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(4-fluorophenyl)sulfanylpropanoylamino]-3-phenylpropanamide is sourced from PubChem (CID 95288076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).