N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C16H22N2O4S — CID 110789514

IUPACN-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCOc1c(C)cc(C)cc1CCNS(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C16H22N2O4S/c1-10-8-11(2)15(21-5)14(9-10)6-7-17-23(19,20)16-12(3)18-22-13(16)4/h8-9,17H,6-7H2,1-5H3
InChIKeyVSQIJXZANUBBRP-UHFFFAOYSA-N
MW338.43 g/mol
LogP2.44
Rot. Bonds6

About N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 110789514) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID110789514
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC NameN-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCOc1c(C)cc(C)cc1CCNS(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C16H22N2O4S/c1-10-8-11(2)15(21-5)14(9-10)6-7-17-23(19,20)16-12(3)18-22-13(16)4/h8-9,17H,6-7H2,1-5H3
InChIKeyVSQIJXZANUBBRP-UHFFFAOYSA-N
XLogP2.44
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methoxy-5-methylphenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 35606688
N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110326382
N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 71894477
3,5-dimethyl-N-[2-(1-methylindol-3-yl)ethyl]-1,2-oxazole-4-sulfonamide
CID 110731554
3,5-dimethyl-N-[2-(4-propylphenyl)ethyl]-1,2-oxazole-4-sulfonamide
CID 110787816
N-[4-(4-methoxyphenyl)butyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110288844
N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-3,5-dimethylbenzenesulfonamide
CID 138992695
N-[2-(4-chlorophenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 7436894
N-(2-aminoethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119960057
3,5-dimethyl-N-[2-(methylamino)ethyl]-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119972982
N-(2-ethoxyethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 3452396
3,5-dimethyl-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-1,2-oxazole-4-sulfonamide
CID 110320355

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 110789514) is N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is COc1c(C)cc(C)cc1CCNS(=O)(=O)c1c(C)noc1C.
What is the InChIKey of N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is VSQIJXZANUBBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4S/c1-10-8-11(2)15(21-5)14(9-10)6-7-17-23(19,20)16-12(3)18-22-13(16)4/h8-9,17H,6-7H2,1-5H3.
What are the key properties of N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 338.43 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 110789514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).