2-[2-[1-[2-(difluoromethoxy)phenyl]propylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C19H23F2N3O4S — CID 46432566

IUPAC2-[2-[1-[2-(difluoromethoxy)phenyl]propylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCCC(NC(=O)CSC(C)C(=O)Nc1cc(C)on1)c1ccccc1OC(F)F
InChIInChI=1S/C19H23F2N3O4S/c1-4-14(13-7-5-6-8-15(13)27-19(20)21)22-17(25)10-29-12(3)18(26)23-16-9-11(2)28-24-16/h5-9,12,14,19H,4,10H2,1-3H3,(H,22,25)(H,23,24,26)
InChIKeyNWNSVPSLYMXILU-UHFFFAOYSA-N
MW427.47 g/mol
LogP3.91
Rot. Bonds10

About 2-[2-[1-[2-(difluoromethoxy)phenyl]propylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide

2-[2-[1-[2-(difluoromethoxy)phenyl]propylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 46432566) has the molecular formula C19H23F2N3O4S and a molecular weight of 427.47 g/mol. Its IUPAC name is 2-[2-[1-[2-(difluoromethoxy)phenyl]propylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name2-[2-[1-[2-(difluoromethoxy)phenyl]propylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID46432566
Molecular FormulaC19H23F2N3O4S
Molecular Weight427.47 g/mol
Exact Mass427.14
IUPAC Name2-[2-[1-[2-(difluoromethoxy)phenyl]propylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCCC(NC(=O)CSC(C)C(=O)Nc1cc(C)on1)c1ccccc1OC(F)F
InChIInChI=1S/C19H23F2N3O4S/c1-4-14(13-7-5-6-8-15(13)27-19(20)21)22-17(25)10-29-12(3)18(26)23-16-9-11(2)28-24-16/h5-9,12,14,19H,4,10H2,1-3H3,(H,22,25)(H,23,24,26)
InChIKeyNWNSVPSLYMXILU-UHFFFAOYSA-N
XLogP3.91
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.47
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[2-[1-[2-(difluoromethoxy)phenyl]propylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide with MolForge

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Related Compounds

(2R)-2-[2-[[(1S)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 9478004
2-[2-[(2-amino-2-phenylethyl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 119529575
2-[2-(ethoxyamino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 47129265
2-[2-(methoxyamino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51074464
2-[[2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetyl]amino]-N-propan-2-ylbenzamide
CID 55672687
N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(2-phenylhydrazinyl)ethyl]sulfanylpropanamide
CID 78774726
(2R)-2-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 40600148
2-[2-[2-(ethylaminomethyl)anilino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 119440797
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-(difluoromethoxy)benzoate
CID 18100896
(2S)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 7733721
(2S)-2-[2-(3-ethylanilino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 7935200
2-[2-[1-(3-acetamidophenyl)ethylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 46580526

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-[2-(difluoromethoxy)phenyl]propylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of 2-[2-[1-[2-(difluoromethoxy)phenyl]propylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 46432566) is 2-[2-[1-[2-(difluoromethoxy)phenyl]propylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for 2-[2-[1-[2-(difluoromethoxy)phenyl]propylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for 2-[2-[1-[2-(difluoromethoxy)phenyl]propylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide is CCC(NC(=O)CSC(C)C(=O)Nc1cc(C)on1)c1ccccc1OC(F)F.
What is the InChIKey of 2-[2-[1-[2-(difluoromethoxy)phenyl]propylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is NWNSVPSLYMXILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N3O4S/c1-4-14(13-7-5-6-8-15(13)27-19(20)21)22-17(25)10-29-12(3)18(26)23-16-9-11(2)28-24-16/h5-9,12,14,19H,4,10H2,1-3H3,(H,22,25)(H,23,24,26).
What are the key properties of 2-[2-[1-[2-(difluoromethoxy)phenyl]propylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
2-[2-[1-[2-(difluoromethoxy)phenyl]propylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 427.47 g/mol, XLogP of 3.91, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-[2-(difluoromethoxy)phenyl]propylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 46432566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).