N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-phenylsulfanylpropanamide

C21H25FN2O2S — CID 4808877

IUPACN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-phenylsulfanylpropanamide
SMILESCC(Sc1ccccc1)C(=O)NCC(c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C21H25FN2O2S/c1-16(27-19-5-3-2-4-6-19)21(25)23-15-20(24-11-13-26-14-12-24)17-7-9-18(22)10-8-17/h2-10,16,20H,11-15H2,1H3,(H,23,25)
InChIKeyLNLFRJVALJTLLM-UHFFFAOYSA-N
MW388.51 g/mol
LogP3.50
Rot. Bonds7

About N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-phenylsulfanylpropanamide

N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-phenylsulfanylpropanamide (PubChem CID 4808877) has the molecular formula C21H25FN2O2S and a molecular weight of 388.51 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-phenylsulfanylpropanamide
PubChem CID4808877
Molecular FormulaC21H25FN2O2S
Molecular Weight388.51 g/mol
Exact Mass388.16
IUPAC NameN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-phenylsulfanylpropanamide
SMILESCC(Sc1ccccc1)C(=O)NCC(c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C21H25FN2O2S/c1-16(27-19-5-3-2-4-6-19)21(25)23-15-20(24-11-13-26-14-12-24)17-7-9-18(22)10-8-17/h2-10,16,20H,11-15H2,1H3,(H,23,25)
InChIKeyLNLFRJVALJTLLM-UHFFFAOYSA-N
XLogP3.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-phenylsulfanylpropanamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-phenylsulfanylpropanamide (CID 4808877) is N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-phenylsulfanylpropanamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-phenylsulfanylpropanamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-phenylsulfanylpropanamide is CC(Sc1ccccc1)C(=O)NCC(c1ccc(F)cc1)N1CCOCC1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-phenylsulfanylpropanamide?
The InChIKey is LNLFRJVALJTLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O2S/c1-16(27-19-5-3-2-4-6-19)21(25)23-15-20(24-11-13-26-14-12-24)17-7-9-18(22)10-8-17/h2-10,16,20H,11-15H2,1H3,(H,23,25).
What are the key properties of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-phenylsulfanylpropanamide?
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-phenylsulfanylpropanamide has a molecular weight of 388.51 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-phenylsulfanylpropanamide is sourced from PubChem (CID 4808877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).