(2S)-N-ethyl-2-[(S)-(3-methyl-1,2-oxazol-5-yl)methylsulfinyl]-N-phenylpropanamide

C16H20N2O3S — CID 95599524

IUPAC(2S)-N-ethyl-2-[(S)-(3-methyl-1,2-oxazol-5-yl)methylsulfinyl]-N-phenylpropanamide
SMILESCCN(C(=O)[C@H](C)[S@@](=O)Cc1cc(C)no1)c1ccccc1
InChIInChI=1S/C16H20N2O3S/c1-4-18(14-8-6-5-7-9-14)16(19)13(3)22(20)11-15-10-12(2)17-21-15/h5-10,13H,4,11H2,1-3H3/t13-,22-/m0/s1
InChIKeyZWFGCTVINSBWPT-XMHCIUCPSA-N
MW320.41 g/mol
LogP2.67
Rot. Bonds6

About (2S)-N-ethyl-2-[(S)-(3-methyl-1,2-oxazol-5-yl)methylsulfinyl]-N-phenylpropanamide

(2S)-N-ethyl-2-[(S)-(3-methyl-1,2-oxazol-5-yl)methylsulfinyl]-N-phenylpropanamide (PubChem CID 95599524) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is (2S)-N-ethyl-2-[(S)-(3-methyl-1,2-oxazol-5-yl)methylsulfinyl]-N-phenylpropanamide.

Molecular Properties

Compound Name(2S)-N-ethyl-2-[(S)-(3-methyl-1,2-oxazol-5-yl)methylsulfinyl]-N-phenylpropanamide
PubChem CID95599524
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name(2S)-N-ethyl-2-[(S)-(3-methyl-1,2-oxazol-5-yl)methylsulfinyl]-N-phenylpropanamide
SMILESCCN(C(=O)[C@H](C)[S@@](=O)Cc1cc(C)no1)c1ccccc1
InChIInChI=1S/C16H20N2O3S/c1-4-18(14-8-6-5-7-9-14)16(19)13(3)22(20)11-15-10-12(2)17-21-15/h5-10,13H,4,11H2,1-3H3/t13-,22-/m0/s1
InChIKeyZWFGCTVINSBWPT-XMHCIUCPSA-N
XLogP2.67
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-methyl-2-[(R)-(3-methyl-1,2-oxazol-5-yl)methylsulfinyl]-N-phenylpropanamide
CID 95599519
N-ethyl-N-phenyl-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 110857857
[1-(N-methylanilino)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate
CID 47009502
N,N'-diethyl-N,N',2-triphenylpropanediamide
CID 3397142
N-(3,4-dimethylphenyl)-2-hydroxy-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-2-phenylacetamide
CID 66637102
N-ethyl-2,3-dihydroxy-N-phenylpropanamide
CID 11195148
(2S)-N-ethyl-2-phenoxy-N-phenylpropanamide
CID 670227
5-(N-ethylanilino)-4-methyl-5-oxopentanoic acid
CID 11492533
N-ethyl-2-methyl-3-(methylamino)-N-phenylpropanamide
CID 79196237
N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
CID 53017094
5-[[(S)-(2-fluorophenyl)methylsulfinyl]methyl]-3-methyl-1,2-oxazole
CID 95332582
5-[[(R)-2-(benzenesulfonyl)ethylsulfinyl]methyl]-3-methyl-1,2-oxazole
CID 97252975

Frequently Asked Questions

What is the IUPAC name of (2S)-N-ethyl-2-[(S)-(3-methyl-1,2-oxazol-5-yl)methylsulfinyl]-N-phenylpropanamide?
The IUPAC name of (2S)-N-ethyl-2-[(S)-(3-methyl-1,2-oxazol-5-yl)methylsulfinyl]-N-phenylpropanamide (CID 95599524) is (2S)-N-ethyl-2-[(S)-(3-methyl-1,2-oxazol-5-yl)methylsulfinyl]-N-phenylpropanamide.
What is the SMILES notation for (2S)-N-ethyl-2-[(S)-(3-methyl-1,2-oxazol-5-yl)methylsulfinyl]-N-phenylpropanamide?
The canonical SMILES for (2S)-N-ethyl-2-[(S)-(3-methyl-1,2-oxazol-5-yl)methylsulfinyl]-N-phenylpropanamide is CCN(C(=O)[C@H](C)[S@@](=O)Cc1cc(C)no1)c1ccccc1.
What is the InChIKey of (2S)-N-ethyl-2-[(S)-(3-methyl-1,2-oxazol-5-yl)methylsulfinyl]-N-phenylpropanamide?
The InChIKey is ZWFGCTVINSBWPT-XMHCIUCPSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-4-18(14-8-6-5-7-9-14)16(19)13(3)22(20)11-15-10-12(2)17-21-15/h5-10,13H,4,11H2,1-3H3/t13-,22-/m0/s1.
What are the key properties of (2S)-N-ethyl-2-[(S)-(3-methyl-1,2-oxazol-5-yl)methylsulfinyl]-N-phenylpropanamide?
(2S)-N-ethyl-2-[(S)-(3-methyl-1,2-oxazol-5-yl)methylsulfinyl]-N-phenylpropanamide has a molecular weight of 320.41 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-ethyl-2-[(S)-(3-methyl-1,2-oxazol-5-yl)methylsulfinyl]-N-phenylpropanamide is sourced from PubChem (CID 95599524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).