2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

C17H20N2O4S — CID 94025583

IUPAC2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCc1cc(CS(=O)(=O)CC(=O)N[C@H]2CCCc3ccccc32)no1
InChIInChI=1S/C17H20N2O4S/c1-12-9-14(19-23-12)10-24(21,22)11-17(20)18-16-8-4-6-13-5-2-3-7-15(13)16/h2-3,5,7,9,16H,4,6,8,10-11H2,1H3,(H,18,20)/t16-/m0/s1
InChIKeyZGFZPWJHMWUURC-INIZCTEOSA-N
MW348.42 g/mol
LogP2.09
Rot. Bonds5

About 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 94025583) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound Name2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
PubChem CID94025583
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCc1cc(CS(=O)(=O)CC(=O)N[C@H]2CCCc3ccccc32)no1
InChIInChI=1S/C17H20N2O4S/c1-12-9-14(19-23-12)10-24(21,22)11-17(20)18-16-8-4-6-13-5-2-3-7-15(13)16/h2-3,5,7,9,16H,4,6,8,10-11H2,1H3,(H,18,20)/t16-/m0/s1
InChIKeyZGFZPWJHMWUURC-INIZCTEOSA-N
XLogP2.09
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 75404996
2-[(3,4-dimethylphenyl)sulfonylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2468063
4-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
CID 54924290
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide
CID 95134326
3-methylsulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 51456009
3-(4-methylphenyl)sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 2467560
3-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 69220088
2-(3,5-dimethylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2554404
N-cyclopropyl-2-[methyl-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]amino]acetamide
CID 9053146
3-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2-oxazole-4-carboxamide
CID 11149532
3-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 43915646
ethyl 4-oxo-4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]butanoate
CID 7837641

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 94025583) is 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is Cc1cc(CS(=O)(=O)CC(=O)N[C@H]2CCCc3ccccc32)no1.
What is the InChIKey of 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is ZGFZPWJHMWUURC-INIZCTEOSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-12-9-14(19-23-12)10-24(21,22)11-17(20)18-16-8-4-6-13-5-2-3-7-15(13)16/h2-3,5,7,9,16H,4,6,8,10-11H2,1H3,(H,18,20)/t16-/m0/s1.
What are the key properties of 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 348.42 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 94025583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).