(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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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).