2-(2-fluorophenyl)sulfanylethyl 2-[(4-phenylbenzoyl)amino]acetate

C23H20FNO3S — CID 7854674

IUPAC2-(2-fluorophenyl)sulfanylethyl 2-[(4-phenylbenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccc(-c2ccccc2)cc1)OCCSc1ccccc1F
InChIInChI=1S/C23H20FNO3S/c24-20-8-4-5-9-21(20)29-15-14-28-22(26)16-25-23(27)19-12-10-18(11-13-19)17-6-2-1-3-7-17/h1-13H,14-16H2,(H,25,27)
InChIKeyZQFWHMUCZQPHOE-UHFFFAOYSA-N
MW409.48 g/mol
LogP4.56
Rot. Bonds8

About 2-(2-fluorophenyl)sulfanylethyl 2-[(4-phenylbenzoyl)amino]acetate

2-(2-fluorophenyl)sulfanylethyl 2-[(4-phenylbenzoyl)amino]acetate (PubChem CID 7854674) has the molecular formula C23H20FNO3S and a molecular weight of 409.48 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfanylethyl 2-[(4-phenylbenzoyl)amino]acetate.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfanylethyl 2-[(4-phenylbenzoyl)amino]acetate
PubChem CID7854674
Molecular FormulaC23H20FNO3S
Molecular Weight409.48 g/mol
Exact Mass409.11
IUPAC Name2-(2-fluorophenyl)sulfanylethyl 2-[(4-phenylbenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccc(-c2ccccc2)cc1)OCCSc1ccccc1F
InChIInChI=1S/C23H20FNO3S/c24-20-8-4-5-9-21(20)29-15-14-28-22(26)16-25-23(27)19-12-10-18(11-13-19)17-6-2-1-3-7-17/h1-13H,14-16H2,(H,25,27)
InChIKeyZQFWHMUCZQPHOE-UHFFFAOYSA-N
XLogP4.56
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.48
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-fluorophenyl)sulfanylethyl 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 7899436
[2-(dimethylamino)-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 8834418
[2-[bis[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 9492415
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[(4-phenylbenzoyl)amino]acetate
CID 8921301
[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 27905464
2-methylsulfanylethyl 3-(2-fluorophenyl)sulfanylpropanoate
CID 78832599
[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 9492425
cyclohexylmethyl 2-[(4-phenylbenzoyl)amino]acetate
CID 7854658
N-[2-(ethoxyamino)-2-oxoethyl]-4-phenylbenzamide
CID 18169121
3-(4-fluorophenoxy)propyl 2-benzamidoacetate
CID 7889609
(2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-phenylbenzoyl)amino]acetate
CID 2417351
2-(2-fluorophenoxy)ethyl 2-[(4-methoxybenzoyl)amino]acetate
CID 8788015

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfanylethyl 2-[(4-phenylbenzoyl)amino]acetate?
The IUPAC name of 2-(2-fluorophenyl)sulfanylethyl 2-[(4-phenylbenzoyl)amino]acetate (CID 7854674) is 2-(2-fluorophenyl)sulfanylethyl 2-[(4-phenylbenzoyl)amino]acetate.
What is the SMILES notation for 2-(2-fluorophenyl)sulfanylethyl 2-[(4-phenylbenzoyl)amino]acetate?
The canonical SMILES for 2-(2-fluorophenyl)sulfanylethyl 2-[(4-phenylbenzoyl)amino]acetate is O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)OCCSc1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)sulfanylethyl 2-[(4-phenylbenzoyl)amino]acetate?
The InChIKey is ZQFWHMUCZQPHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FNO3S/c24-20-8-4-5-9-21(20)29-15-14-28-22(26)16-25-23(27)19-12-10-18(11-13-19)17-6-2-1-3-7-17/h1-13H,14-16H2,(H,25,27).
What are the key properties of 2-(2-fluorophenyl)sulfanylethyl 2-[(4-phenylbenzoyl)amino]acetate?
2-(2-fluorophenyl)sulfanylethyl 2-[(4-phenylbenzoyl)amino]acetate has a molecular weight of 409.48 g/mol, XLogP of 4.56, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfanylethyl 2-[(4-phenylbenzoyl)amino]acetate is sourced from PubChem (CID 7854674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).