N-(2,6-diethylphenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]acetamide

C18H24N2O4S — CID 86925946

IUPACN-(2,6-diethylphenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]acetamide
SMILESCCc1cccc(CC)c1NC(=O)CS(=O)(=O)Cc1c(C)noc1C
InChIInChI=1S/C18H24N2O4S/c1-5-14-8-7-9-15(6-2)18(14)19-17(21)11-25(22,23)10-16-12(3)20-24-13(16)4/h7-9H,5-6,10-11H2,1-4H3,(H,19,21)
InChIKeyPUECQPTZGVJTLX-UHFFFAOYSA-N
MW364.47 g/mol
LogP2.97
Rot. Bonds7

About N-(2,6-diethylphenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]acetamide

N-(2,6-diethylphenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]acetamide (PubChem CID 86925946) has the molecular formula C18H24N2O4S and a molecular weight of 364.47 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]acetamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]acetamide
PubChem CID86925946
Molecular FormulaC18H24N2O4S
Molecular Weight364.47 g/mol
Exact Mass364.15
IUPAC NameN-(2,6-diethylphenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]acetamide
SMILESCCc1cccc(CC)c1NC(=O)CS(=O)(=O)Cc1c(C)noc1C
InChIInChI=1S/C18H24N2O4S/c1-5-14-8-7-9-15(6-2)18(14)19-17(21)11-25(22,23)10-16-12(3)20-24-13(16)4/h7-9H,5-6,10-11H2,1-4H3,(H,19,21)
InChIKeyPUECQPTZGVJTLX-UHFFFAOYSA-N
XLogP2.97
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-diethylphenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 30843324
N-(2-ethyl-6-methylphenyl)-2-[(4-methylphenyl)methylsulfonyl]acetamide
CID 86926194
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonylmethyl]benzoic acid
CID 94805166
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 27687567
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6-methyl-2-pyridinyl)acetamide
CID 18107240
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]-N,N-di(propan-2-yl)acetamide
CID 86923030
N-(2-ethyl-6-methylphenyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]acetamide
CID 86925930
N-(2,6-diethylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 17173863
N-(2,6-dichlorophenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 110651196
2-(2,6-dichlorophenyl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 51098104
3-bromo-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]benzoic acid
CID 63112767
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 38302891

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]acetamide?
The IUPAC name of N-(2,6-diethylphenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]acetamide (CID 86925946) is N-(2,6-diethylphenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]acetamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]acetamide?
The canonical SMILES for N-(2,6-diethylphenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]acetamide is CCc1cccc(CC)c1NC(=O)CS(=O)(=O)Cc1c(C)noc1C.
What is the InChIKey of N-(2,6-diethylphenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]acetamide?
The InChIKey is PUECQPTZGVJTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4S/c1-5-14-8-7-9-15(6-2)18(14)19-17(21)11-25(22,23)10-16-12(3)20-24-13(16)4/h7-9H,5-6,10-11H2,1-4H3,(H,19,21).
What are the key properties of N-(2,6-diethylphenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]acetamide?
N-(2,6-diethylphenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]acetamide has a molecular weight of 364.47 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]acetamide is sourced from PubChem (CID 86925946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).