2-(4-acetamidophenyl)sulfanyl-N-ethyl-N-[1-(4-fluorophenyl)ethyl]propanamide

C21H25FN2O2S — CID 87025690

IUPAC2-(4-acetamidophenyl)sulfanyl-N-ethyl-N-[1-(4-fluorophenyl)ethyl]propanamide
SMILESCCN(C(=O)C(C)Sc1ccc(NC(C)=O)cc1)C(C)c1ccc(F)cc1
InChIInChI=1S/C21H25FN2O2S/c1-5-24(14(2)17-6-8-18(22)9-7-17)21(26)15(3)27-20-12-10-19(11-13-20)23-16(4)25/h6-15H,5H2,1-4H3,(H,23,25)
InChIKeyVAHRIEHCDAGJHJ-UHFFFAOYSA-N
MW388.51 g/mol
LogP4.87
Rot. Bonds7

About 2-(4-acetamidophenyl)sulfanyl-N-ethyl-N-[1-(4-fluorophenyl)ethyl]propanamide

2-(4-acetamidophenyl)sulfanyl-N-ethyl-N-[1-(4-fluorophenyl)ethyl]propanamide (PubChem CID 87025690) has the molecular formula C21H25FN2O2S and a molecular weight of 388.51 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)sulfanyl-N-ethyl-N-[1-(4-fluorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)sulfanyl-N-ethyl-N-[1-(4-fluorophenyl)ethyl]propanamide
PubChem CID87025690
Molecular FormulaC21H25FN2O2S
Molecular Weight388.51 g/mol
Exact Mass388.16
IUPAC Name2-(4-acetamidophenyl)sulfanyl-N-ethyl-N-[1-(4-fluorophenyl)ethyl]propanamide
SMILESCCN(C(=O)C(C)Sc1ccc(NC(C)=O)cc1)C(C)c1ccc(F)cc1
InChIInChI=1S/C21H25FN2O2S/c1-5-24(14(2)17-6-8-18(22)9-7-17)21(26)15(3)27-20-12-10-19(11-13-20)23-16(4)25/h6-15H,5H2,1-4H3,(H,23,25)
InChIKeyVAHRIEHCDAGJHJ-UHFFFAOYSA-N
XLogP4.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 60794877
2-(4-acetamidophenyl)sulfanyl-N-[3-(4-fluorophenyl)sulfanylpropyl]propanamide
CID 55834214
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-oxobutanamide
CID 54876478
2-(4-acetamidophenyl)sulfanyl-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide
CID 55874865
N-ethyl-3-(ethylamino)-N-[1-(4-fluorophenyl)ethyl]-2-methylpropanamide
CID 62853654
2-(4-acetamidophenyl)sulfanyl-N-(2,4-difluorophenyl)propanamide
CID 51235630
2-(4-acetamidophenyl)sulfanyl-N-[[4-(4-fluorophenoxy)phenyl]methyl]propanamide
CID 55821168
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-(4-fluorophenyl)sulfonylpropanamide
CID 86850077
2-(4-acetamidophenyl)sulfanyl-N-[(3,4-difluorophenyl)methyl]-N-methylpropanamide
CID 55828448
5-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methylpentanamide
CID 104684492
(2R)-N-(4-ethoxyphenyl)-2-(4-fluorophenyl)sulfanylpropanamide
CID 8740652
(2S)-N-(4-bromophenyl)-2-(4-fluorophenyl)sulfanylpropanamide
CID 7553826

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-ethyl-N-[1-(4-fluorophenyl)ethyl]propanamide?
The IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-ethyl-N-[1-(4-fluorophenyl)ethyl]propanamide (CID 87025690) is 2-(4-acetamidophenyl)sulfanyl-N-ethyl-N-[1-(4-fluorophenyl)ethyl]propanamide.
What is the SMILES notation for 2-(4-acetamidophenyl)sulfanyl-N-ethyl-N-[1-(4-fluorophenyl)ethyl]propanamide?
The canonical SMILES for 2-(4-acetamidophenyl)sulfanyl-N-ethyl-N-[1-(4-fluorophenyl)ethyl]propanamide is CCN(C(=O)C(C)Sc1ccc(NC(C)=O)cc1)C(C)c1ccc(F)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)sulfanyl-N-ethyl-N-[1-(4-fluorophenyl)ethyl]propanamide?
The InChIKey is VAHRIEHCDAGJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O2S/c1-5-24(14(2)17-6-8-18(22)9-7-17)21(26)15(3)27-20-12-10-19(11-13-20)23-16(4)25/h6-15H,5H2,1-4H3,(H,23,25).
What are the key properties of 2-(4-acetamidophenyl)sulfanyl-N-ethyl-N-[1-(4-fluorophenyl)ethyl]propanamide?
2-(4-acetamidophenyl)sulfanyl-N-ethyl-N-[1-(4-fluorophenyl)ethyl]propanamide has a molecular weight of 388.51 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)sulfanyl-N-ethyl-N-[1-(4-fluorophenyl)ethyl]propanamide is sourced from PubChem (CID 87025690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).