[(2R)-2-[3-(4-fluorophenyl)sulfanylpropanoylamino]-2-phenylethyl]-dimethylazanium

C19H24FN2OS+ — CID 8937610

IUPAC[(2R)-2-[3-(4-fluorophenyl)sulfanylpropanoylamino]-2-phenylethyl]-dimethylazanium
SMILESC[NH+](C)C[C@H](NC(=O)CCSc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C19H23FN2OS/c1-22(2)14-18(15-6-4-3-5-7-15)21-19(23)12-13-24-17-10-8-16(20)9-11-17/h3-11,18H,12-14H2,1-2H3,(H,21,23)/p+1/t18-/m0/s1
InChIKeyBGSPZNNRKRLSFO-SFHVURJKSA-O
MW347.48 g/mol
LogP2.31
Rot. Bonds8

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

[(2R)-2-[3-(4-fluorophenyl)sulfanylpropanoylamino]-2-phenylethyl]-dimethylazanium (PubChem CID 8937610) has the molecular formula C19H24FN2OS+ and a molecular weight of 347.48 g/mol. Its IUPAC name is [(2R)-2-[3-(4-fluorophenyl)sulfanylpropanoylamino]-2-phenylethyl]-dimethylazanium.

Molecular Properties

Compound Name[(2R)-2-[3-(4-fluorophenyl)sulfanylpropanoylamino]-2-phenylethyl]-dimethylazanium
PubChem CID8937610
Molecular FormulaC19H24FN2OS+
Molecular Weight347.48 g/mol
Exact Mass347.16
IUPAC Name[(2R)-2-[3-(4-fluorophenyl)sulfanylpropanoylamino]-2-phenylethyl]-dimethylazanium
SMILESC[NH+](C)C[C@H](NC(=O)CCSc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C19H23FN2OS/c1-22(2)14-18(15-6-4-3-5-7-15)21-19(23)12-13-24-17-10-8-16(20)9-11-17/h3-11,18H,12-14H2,1-2H3,(H,21,23)/p+1/t18-/m0/s1
InChIKeyBGSPZNNRKRLSFO-SFHVURJKSA-O
XLogP2.31
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-2-phenylethyl]-dimethylazanium
CID 8937161
N-[(1S)-2-hydroxy-1-phenylethyl]-3-phenylsulfanylpropanamide
CID 103944973
3-(4-methylphenyl)sulfanyl-N-[(1R)-1-phenylpropyl]propanamide
CID 94027994
dimethyl-[(2S)-2-[(4-methylsulfanylbenzoyl)amino]-2-phenylethyl]azanium
CID 8937909
[(2R)-2-[(2-fluorobenzoyl)amino]-2-phenylethyl]-dimethylazanium
CID 8937649
3-(4-fluorophenyl)sulfanyl-N-[(2R)-1-hydroxybutan-2-yl]propanamide
CID 103920317
3-(4-fluorophenyl)sulfanyl-N-[(2S)-1-methoxypropan-2-yl]propanamide
CID 94811265
(2R)-2-[3-(4-fluorophenyl)sulfanylpropanoylamino]-3-phenylpropanamide
CID 95288076
3-(4-fluorophenyl)sulfanyl-N'-phenylpropanehydrazide
CID 102604414
dimethyl-[(2R)-2-[[2-(2-methylphenyl)sulfanylacetyl]amino]-2-phenylethyl]azanium
CID 8937080
3-(4-fluorophenyl)sulfanyl-N-(1-thiophen-2-ylethyl)propanamide
CID 47098774
(2S)-2-[3-(4-fluorophenyl)sulfanylpropanoylamino]hexanoic acid
CID 107143886

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[3-(4-fluorophenyl)sulfanylpropanoylamino]-2-phenylethyl]-dimethylazanium?
The IUPAC name of [(2R)-2-[3-(4-fluorophenyl)sulfanylpropanoylamino]-2-phenylethyl]-dimethylazanium (CID 8937610) is [(2R)-2-[3-(4-fluorophenyl)sulfanylpropanoylamino]-2-phenylethyl]-dimethylazanium.
What is the SMILES notation for [(2R)-2-[3-(4-fluorophenyl)sulfanylpropanoylamino]-2-phenylethyl]-dimethylazanium?
The canonical SMILES for [(2R)-2-[3-(4-fluorophenyl)sulfanylpropanoylamino]-2-phenylethyl]-dimethylazanium is C[NH+](C)C[C@H](NC(=O)CCSc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of [(2R)-2-[3-(4-fluorophenyl)sulfanylpropanoylamino]-2-phenylethyl]-dimethylazanium?
The InChIKey is BGSPZNNRKRLSFO-SFHVURJKSA-O. The full InChI is InChI=1S/C19H23FN2OS/c1-22(2)14-18(15-6-4-3-5-7-15)21-19(23)12-13-24-17-10-8-16(20)9-11-17/h3-11,18H,12-14H2,1-2H3,(H,21,23)/p+1/t18-/m0/s1.
What are the key properties of [(2R)-2-[3-(4-fluorophenyl)sulfanylpropanoylamino]-2-phenylethyl]-dimethylazanium?
[(2R)-2-[3-(4-fluorophenyl)sulfanylpropanoylamino]-2-phenylethyl]-dimethylazanium has a molecular weight of 347.48 g/mol, XLogP of 2.31, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[3-(4-fluorophenyl)sulfanylpropanoylamino]-2-phenylethyl]-dimethylazanium is sourced from PubChem (CID 8937610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).