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

C13H16N2O3S2 — CID 97220379

IUPACN-methyl-2-[(R)-(3-methyl-1,2-oxazol-5-yl)methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1cc(C[S@@](=O)CC(=O)N(C)Cc2cccs2)on1
InChIInChI=1S/C13H16N2O3S2/c1-10-6-11(18-14-10)8-20(17)9-13(16)15(2)7-12-4-3-5-19-12/h3-6H,7-9H2,1-2H3/t20-/m1/s1
InChIKeyBGFRDHAKMRHRCS-HXUWFJFHSA-N
MW312.42 g/mol
LogP1.95
Rot. Bonds6

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

N-methyl-2-[(R)-(3-methyl-1,2-oxazol-5-yl)methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 97220379) has the molecular formula C13H16N2O3S2 and a molecular weight of 312.42 g/mol. Its IUPAC name is N-methyl-2-[(R)-(3-methyl-1,2-oxazol-5-yl)methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-[(R)-(3-methyl-1,2-oxazol-5-yl)methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID97220379
Molecular FormulaC13H16N2O3S2
Molecular Weight312.42 g/mol
Exact Mass312.06
IUPAC NameN-methyl-2-[(R)-(3-methyl-1,2-oxazol-5-yl)methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1cc(C[S@@](=O)CC(=O)N(C)Cc2cccs2)on1
InChIInChI=1S/C13H16N2O3S2/c1-10-6-11(18-14-10)8-20(17)9-13(16)15(2)7-12-4-3-5-19-12/h3-6H,7-9H2,1-2H3/t20-/m1/s1
InChIKeyBGFRDHAKMRHRCS-HXUWFJFHSA-N
XLogP1.95
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 110733634
3-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)propanamide
CID 115139118
N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-2-thiophen-2-ylacetamide
CID 71789714
5-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide
CID 63571789
4-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 79201475
2-(2-aminophenyl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 43527191
N,3,6-trimethyl-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 18162206
4-amino-N-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 43527540
5-[(4-hydroxypiperidin-1-yl)methyl]-N-methyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 56712236
N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
CID 53017094
2-(dimethylamino)-N,6-dimethyl-N-(thiophen-2-ylmethyl)pyrimidine-4-carboxamide
CID 71689290
2-(3,4-dimethylphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 78760305

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(R)-(3-methyl-1,2-oxazol-5-yl)methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-methyl-2-[(R)-(3-methyl-1,2-oxazol-5-yl)methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide (CID 97220379) is N-methyl-2-[(R)-(3-methyl-1,2-oxazol-5-yl)methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-methyl-2-[(R)-(3-methyl-1,2-oxazol-5-yl)methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-methyl-2-[(R)-(3-methyl-1,2-oxazol-5-yl)methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide is Cc1cc(C[S@@](=O)CC(=O)N(C)Cc2cccs2)on1.
What is the InChIKey of N-methyl-2-[(R)-(3-methyl-1,2-oxazol-5-yl)methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is BGFRDHAKMRHRCS-HXUWFJFHSA-N. The full InChI is InChI=1S/C13H16N2O3S2/c1-10-6-11(18-14-10)8-20(17)9-13(16)15(2)7-12-4-3-5-19-12/h3-6H,7-9H2,1-2H3/t20-/m1/s1.
What are the key properties of N-methyl-2-[(R)-(3-methyl-1,2-oxazol-5-yl)methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide?
N-methyl-2-[(R)-(3-methyl-1,2-oxazol-5-yl)methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 312.42 g/mol, XLogP of 1.95, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(R)-(3-methyl-1,2-oxazol-5-yl)methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 97220379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).