N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(2-methylphenyl)sulfanylacetamide

C21H25FN2O2S — CID 4791442

IUPACN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(2-methylphenyl)sulfanylacetamide
SMILESCc1ccccc1SCC(=O)NCC(c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C21H25FN2O2S/c1-16-4-2-3-5-20(16)27-15-21(25)23-14-19(24-10-12-26-13-11-24)17-6-8-18(22)9-7-17/h2-9,19H,10-15H2,1H3,(H,23,25)
InChIKeyDJXWKDGGJQRAKB-UHFFFAOYSA-N
MW388.51 g/mol
LogP3.42
Rot. Bonds7

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

N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(2-methylphenyl)sulfanylacetamide (PubChem CID 4791442) 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-(2-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(2-methylphenyl)sulfanylacetamide
PubChem CID4791442
Molecular FormulaC21H25FN2O2S
Molecular Weight388.51 g/mol
Exact Mass388.16
IUPAC NameN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(2-methylphenyl)sulfanylacetamide
SMILESCc1ccccc1SCC(=O)NCC(c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C21H25FN2O2S/c1-16-4-2-3-5-20(16)27-15-21(25)23-14-19(24-10-12-26-13-11-24)17-6-8-18(22)9-7-17/h2-9,19H,10-15H2,1H3,(H,23,25)
InChIKeyDJXWKDGGJQRAKB-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
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-(2-methylphenyl)sulfanylacetamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(2-methylphenyl)sulfanylacetamide (CID 4791442) is N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(2-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(2-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(2-methylphenyl)sulfanylacetamide is Cc1ccccc1SCC(=O)NCC(c1ccc(F)cc1)N1CCOCC1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(2-methylphenyl)sulfanylacetamide?
The InChIKey is DJXWKDGGJQRAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O2S/c1-16-4-2-3-5-20(16)27-15-21(25)23-14-19(24-10-12-26-13-11-24)17-6-8-18(22)9-7-17/h2-9,19H,10-15H2,1H3,(H,23,25).
What are the key properties of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(2-methylphenyl)sulfanylacetamide?
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(2-methylphenyl)sulfanylacetamide has a molecular weight of 388.51 g/mol, XLogP of 3.42, 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-(2-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 4791442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).