(2S)-2-[(S)-(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]-N-(thiophen-2-ylmethyl)propanamide

C13H16N2O3S2 — CID 95062178

IUPAC(2S)-2-[(S)-(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]-N-(thiophen-2-ylmethyl)propanamide
SMILESCc1cc(C[S@](=O)[C@@H](C)C(=O)NCc2cccs2)no1
InChIInChI=1S/C13H16N2O3S2/c1-9-6-11(15-18-9)8-20(17)10(2)13(16)14-7-12-4-3-5-19-12/h3-6,10H,7-8H2,1-2H3,(H,14,16)/t10-,20-/m0/s1
InChIKeyOMVYUNKVQVMLNJ-FVINQWEUSA-N
MW312.42 g/mol
LogP2.00
Rot. Bonds6

About (2S)-2-[(S)-(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]-N-(thiophen-2-ylmethyl)propanamide

(2S)-2-[(S)-(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 95062178) has the molecular formula C13H16N2O3S2 and a molecular weight of 312.42 g/mol. Its IUPAC name is (2S)-2-[(S)-(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(S)-(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]-N-(thiophen-2-ylmethyl)propanamide
PubChem CID95062178
Molecular FormulaC13H16N2O3S2
Molecular Weight312.42 g/mol
Exact Mass312.06
IUPAC Name(2S)-2-[(S)-(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]-N-(thiophen-2-ylmethyl)propanamide
SMILESCc1cc(C[S@](=O)[C@@H](C)C(=O)NCc2cccs2)no1
InChIInChI=1S/C13H16N2O3S2/c1-9-6-11(15-18-9)8-20(17)10(2)13(16)14-7-12-4-3-5-19-12/h3-6,10H,7-8H2,1-2H3,(H,14,16)/t10-,20-/m0/s1
InChIKeyOMVYUNKVQVMLNJ-FVINQWEUSA-N
XLogP2.00
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[(S)-(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]-N-(thiophen-2-ylmethyl)propanamide with MolForge

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Related Compounds

(2S)-2-[(S)-(2-ethyl-1,3-thiazol-4-yl)methylsulfinyl]-N-(thiophen-2-ylmethyl)propanamide
CID 96548280
(2R)-N-tert-butyl-2-[(R)-(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]propanamide
CID 95593592
(2R)-N-(cyclohexylmethyl)-2-[(S)-(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]propanamide
CID 95599700
1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(thiophen-2-ylmethyl)thiourea
CID 75415342
N-(2-methoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]propanamide
CID 56827638
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(S)-(2-phenyl-1,3-thiazol-4-yl)methylsulfinyl]propanamide
CID 95571839
2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide
CID 42994656
2-(hydroxymethyl)-3-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 115187274
2-methyl-3-oxo-3-(thiophen-2-ylmethylamino)propanoic acid
CID 114897313
3-methyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)pentanamide
CID 174883197
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(S)-[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfinyl]propanamide
CID 95571915
[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] pyrrolidine-1-carbodithioate
CID 78719902

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(S)-(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of (2S)-2-[(S)-(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]-N-(thiophen-2-ylmethyl)propanamide (CID 95062178) is (2S)-2-[(S)-(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for (2S)-2-[(S)-(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for (2S)-2-[(S)-(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]-N-(thiophen-2-ylmethyl)propanamide is Cc1cc(C[S@](=O)[C@@H](C)C(=O)NCc2cccs2)no1.
What is the InChIKey of (2S)-2-[(S)-(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is OMVYUNKVQVMLNJ-FVINQWEUSA-N. The full InChI is InChI=1S/C13H16N2O3S2/c1-9-6-11(15-18-9)8-20(17)10(2)13(16)14-7-12-4-3-5-19-12/h3-6,10H,7-8H2,1-2H3,(H,14,16)/t10-,20-/m0/s1.
What are the key properties of (2S)-2-[(S)-(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]-N-(thiophen-2-ylmethyl)propanamide?
(2S)-2-[(S)-(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 312.42 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(S)-(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 95062178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).