[(2R)-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-2-phenylethyl]-dimethylazanium

C18H22FN2OS+ — CID 8937161

IUPAC[(2R)-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-2-phenylethyl]-dimethylazanium
SMILESC[NH+](C)C[C@H](NC(=O)CSc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C18H21FN2OS/c1-21(2)12-17(14-6-4-3-5-7-14)20-18(22)13-23-16-10-8-15(19)9-11-16/h3-11,17H,12-13H2,1-2H3,(H,20,22)/p+1/t17-/m0/s1
InChIKeyZVHSXODOSNJNBB-KRWDZBQOSA-O
MW333.45 g/mol
LogP1.92
Rot. Bonds7

About [(2R)-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-2-phenylethyl]-dimethylazanium

[(2R)-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-2-phenylethyl]-dimethylazanium (PubChem CID 8937161) has the molecular formula C18H22FN2OS+ and a molecular weight of 333.45 g/mol. Its IUPAC name is [(2R)-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-2-phenylethyl]-dimethylazanium.

Molecular Properties

Compound Name[(2R)-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-2-phenylethyl]-dimethylazanium
PubChem CID8937161
Molecular FormulaC18H22FN2OS+
Molecular Weight333.45 g/mol
Exact Mass333.14
IUPAC Name[(2R)-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-2-phenylethyl]-dimethylazanium
SMILESC[NH+](C)C[C@H](NC(=O)CSc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C18H21FN2OS/c1-21(2)12-17(14-6-4-3-5-7-14)20-18(22)13-23-16-10-8-15(19)9-11-16/h3-11,17H,12-13H2,1-2H3,(H,20,22)/p+1/t17-/m0/s1
InChIKeyZVHSXODOSNJNBB-KRWDZBQOSA-O
XLogP1.92
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-2-[3-(4-fluorophenyl)sulfanylpropanoylamino]-2-phenylethyl]-dimethylazanium
CID 8937610
2-(4-fluorophenyl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 894218
dimethyl-[(2R)-2-[[2-(2-methylphenyl)sulfanylacetyl]amino]-2-phenylethyl]azanium
CID 8937080
N-[(1S)-1-phenylpropyl]-2-phenylsulfanylacetamide
CID 94013315
dimethyl-[(2S)-2-[(4-methylsulfanylbenzoyl)amino]-2-phenylethyl]azanium
CID 8937909
2-(4-methylphenyl)sulfanyl-N-(1-phenylpropyl)acetamide
CID 43905510
3-[[2-(4-fluorophenyl)sulfanylacetyl]amino]butanoic acid
CID 43240732
(2R)-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-3-methylbutanoic acid
CID 79011185
(2S)-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-3,3-dimethylbutanoic acid
CID 61143830
[(2R)-2-[(2-fluorobenzoyl)amino]-2-phenylethyl]-dimethylazanium
CID 8937649
2-(4-bromophenyl)sulfanyl-N-(1-phenylbutyl)acetamide
CID 18290915
N-(1-phenylethyl)-2-phenylsulfanylacetamide
CID 2889950

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-2-phenylethyl]-dimethylazanium?
The IUPAC name of [(2R)-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-2-phenylethyl]-dimethylazanium (CID 8937161) is [(2R)-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-2-phenylethyl]-dimethylazanium.
What is the SMILES notation for [(2R)-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-2-phenylethyl]-dimethylazanium?
The canonical SMILES for [(2R)-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-2-phenylethyl]-dimethylazanium is C[NH+](C)C[C@H](NC(=O)CSc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of [(2R)-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-2-phenylethyl]-dimethylazanium?
The InChIKey is ZVHSXODOSNJNBB-KRWDZBQOSA-O. The full InChI is InChI=1S/C18H21FN2OS/c1-21(2)12-17(14-6-4-3-5-7-14)20-18(22)13-23-16-10-8-15(19)9-11-16/h3-11,17H,12-13H2,1-2H3,(H,20,22)/p+1/t17-/m0/s1.
What are the key properties of [(2R)-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-2-phenylethyl]-dimethylazanium?
[(2R)-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-2-phenylethyl]-dimethylazanium has a molecular weight of 333.45 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-2-phenylethyl]-dimethylazanium is sourced from PubChem (CID 8937161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).