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

C18H22N2O4S — CID 75404996

IUPACN-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCc1cc(CS(=O)(=O)CC(=O)N(C)C2CCCc3ccccc32)no1
InChIInChI=1S/C18H22N2O4S/c1-13-10-15(19-24-13)11-25(22,23)12-18(21)20(2)17-9-5-7-14-6-3-4-8-16(14)17/h3-4,6,8,10,17H,5,7,9,11-12H2,1-2H3
InChIKeySZUFBJVDCVWVPI-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.43
Rot. Bonds5

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

N-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 75404996) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound NameN-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
PubChem CID75404996
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC NameN-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCc1cc(CS(=O)(=O)CC(=O)N(C)C2CCCc3ccccc32)no1
InChIInChI=1S/C18H22N2O4S/c1-13-10-15(19-24-13)11-25(22,23)12-18(21)20(2)17-9-5-7-14-6-3-4-8-16(14)17/h3-4,6,8,10,17H,5,7,9,11-12H2,1-2H3
InChIKeySZUFBJVDCVWVPI-UHFFFAOYSA-N
XLogP2.43
TPSA80.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 94025583
4-hydroxy-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide
CID 79200379
N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 39709988
N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 50970501
2-(tert-butylamino)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 112724240
3-(ethylamino)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 3064453
2-(2-methoxyethoxy)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 103601646
3-methyl-5-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-5-oxopentanoic acid
CID 62966289
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 51190736
N-cyclopropyl-2-[methyl-[2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]amino]acetamide
CID 8910380
[2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate
CID 9487988
[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate
CID 8985377

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of N-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (CID 75404996) is N-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for N-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for N-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is Cc1cc(CS(=O)(=O)CC(=O)N(C)C2CCCc3ccccc32)no1.
What is the InChIKey of N-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is SZUFBJVDCVWVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-13-10-15(19-24-13)11-25(22,23)12-18(21)20(2)17-9-5-7-14-6-3-4-8-16(14)17/h3-4,6,8,10,17H,5,7,9,11-12H2,1-2H3.
What are the key properties of N-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
N-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 362.45 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 75404996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).