2-(4-acetamidophenyl)sulfanyl-N-[3-(4-fluorophenyl)sulfanylpropyl]propanamide

C20H23FN2O2S2 — CID 55834214

IUPAC2-(4-acetamidophenyl)sulfanyl-N-[3-(4-fluorophenyl)sulfanylpropyl]propanamide
SMILESCC(=O)Nc1ccc(SC(C)C(=O)NCCCSc2ccc(F)cc2)cc1
InChIInChI=1S/C20H23FN2O2S2/c1-14(27-19-10-6-17(7-11-19)23-15(2)24)20(25)22-12-3-13-26-18-8-4-16(21)5-9-18/h4-11,14H,3,12-13H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyYUAZVTLWMPDHLD-UHFFFAOYSA-N
MW406.55 g/mol
LogP4.56
Rot. Bonds9

About 2-(4-acetamidophenyl)sulfanyl-N-[3-(4-fluorophenyl)sulfanylpropyl]propanamide

2-(4-acetamidophenyl)sulfanyl-N-[3-(4-fluorophenyl)sulfanylpropyl]propanamide (PubChem CID 55834214) has the molecular formula C20H23FN2O2S2 and a molecular weight of 406.55 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)sulfanyl-N-[3-(4-fluorophenyl)sulfanylpropyl]propanamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)sulfanyl-N-[3-(4-fluorophenyl)sulfanylpropyl]propanamide
PubChem CID55834214
Molecular FormulaC20H23FN2O2S2
Molecular Weight406.55 g/mol
Exact Mass406.12
IUPAC Name2-(4-acetamidophenyl)sulfanyl-N-[3-(4-fluorophenyl)sulfanylpropyl]propanamide
SMILESCC(=O)Nc1ccc(SC(C)C(=O)NCCCSc2ccc(F)cc2)cc1
InChIInChI=1S/C20H23FN2O2S2/c1-14(27-19-10-6-17(7-11-19)23-15(2)24)20(25)22-12-3-13-26-18-8-4-16(21)5-9-18/h4-11,14H,3,12-13H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyYUAZVTLWMPDHLD-UHFFFAOYSA-N
XLogP4.56
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.55
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-acetamidophenyl)sulfanyl-N-[[4-(4-fluorophenoxy)phenyl]methyl]propanamide
CID 55821168
2-amino-N-[3-(4-fluorophenyl)sulfanylpropyl]propanamide;hydrochloride
CID 119268290
N-[3-(4-fluorophenyl)sulfanylpropyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 55821516
2-(4-acetamidophenyl)sulfanyl-N-(2,4-difluorophenyl)propanamide
CID 51235630
(2S)-N-(4-bromophenyl)-2-(4-fluorophenyl)sulfanylpropanamide
CID 7553826
(2R)-2-(4-chlorophenyl)sulfanyl-N-[3-(4-fluorophenyl)propyl]propanamide
CID 99999476
2-(4-acetamidophenyl)sulfanyl-N-ethyl-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 87025690
(2S)-2-(4-fluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide
CID 8740654
2-(4-fluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide
CID 51235350
(2S)-2-(4-chlorophenyl)sulfanyl-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide
CID 2279323
(2R)-2-(4-acetamidophenyl)sulfanyl-N-(4-methylphenyl)propanamide
CID 2113012
(2R)-N-(4-ethoxyphenyl)-2-(4-fluorophenyl)sulfanylpropanamide
CID 8740652

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-[3-(4-fluorophenyl)sulfanylpropyl]propanamide?
The IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-[3-(4-fluorophenyl)sulfanylpropyl]propanamide (CID 55834214) is 2-(4-acetamidophenyl)sulfanyl-N-[3-(4-fluorophenyl)sulfanylpropyl]propanamide.
What is the SMILES notation for 2-(4-acetamidophenyl)sulfanyl-N-[3-(4-fluorophenyl)sulfanylpropyl]propanamide?
The canonical SMILES for 2-(4-acetamidophenyl)sulfanyl-N-[3-(4-fluorophenyl)sulfanylpropyl]propanamide is CC(=O)Nc1ccc(SC(C)C(=O)NCCCSc2ccc(F)cc2)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)sulfanyl-N-[3-(4-fluorophenyl)sulfanylpropyl]propanamide?
The InChIKey is YUAZVTLWMPDHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2S2/c1-14(27-19-10-6-17(7-11-19)23-15(2)24)20(25)22-12-3-13-26-18-8-4-16(21)5-9-18/h4-11,14H,3,12-13H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of 2-(4-acetamidophenyl)sulfanyl-N-[3-(4-fluorophenyl)sulfanylpropyl]propanamide?
2-(4-acetamidophenyl)sulfanyl-N-[3-(4-fluorophenyl)sulfanylpropyl]propanamide has a molecular weight of 406.55 g/mol, XLogP of 4.56, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)sulfanyl-N-[3-(4-fluorophenyl)sulfanylpropyl]propanamide is sourced from PubChem (CID 55834214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).