5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxy-N-[(2-methylphenyl)methyl]benzenesulfonamide

C20H22N2O4S — CID 20936573

IUPAC5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxy-N-[(2-methylphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)NCc1ccccc1C
InChIInChI=1S/C20H22N2O4S/c1-13-7-5-6-8-17(13)12-21-27(23,24)19-11-16(9-10-18(19)25-4)20-14(2)15(3)22-26-20/h5-11,21H,12H2,1-4H3
InChIKeyMLAFWWATRVOHGJ-UHFFFAOYSA-N
MW386.47 g/mol
LogP3.75
Rot. Bonds6

About 5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxy-N-[(2-methylphenyl)methyl]benzenesulfonamide

5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxy-N-[(2-methylphenyl)methyl]benzenesulfonamide (PubChem CID 20936573) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is 5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxy-N-[(2-methylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxy-N-[(2-methylphenyl)methyl]benzenesulfonamide
PubChem CID20936573
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC Name5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxy-N-[(2-methylphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)NCc1ccccc1C
InChIInChI=1S/C20H22N2O4S/c1-13-7-5-6-8-17(13)12-21-27(23,24)19-11-16(9-10-18(19)25-4)20-14(2)15(3)22-26-20/h5-11,21H,12H2,1-4H3
InChIKeyMLAFWWATRVOHGJ-UHFFFAOYSA-N
XLogP3.75
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(diethylamino)ethyl]-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxybenzenesulfonamide
CID 20936548
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxybenzenesulfonamide
CID 20936586
5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
CID 20936585
5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-ethoxyphenyl)-2-methoxybenzenesulfonamide
CID 20935605
5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-[(4-fluorophenyl)methyl]-2-methylbenzenesulfonamide
CID 20935524
3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonyl-N-(2,4,6-trimethylphenyl)propanamide
CID 53060009
5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 53054209
N-(5-chloro-2-methoxyphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide
CID 20935532
3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonyl-N-(furan-2-ylmethyl)propanamide
CID 53059989
5-ethyl-2-methoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 110757861
5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(3-methoxyphenyl)-2-methylbenzenesulfonamide
CID 20935455
N-cyclopropyl-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonylpropanamide
CID 53060006

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxy-N-[(2-methylphenyl)methyl]benzenesulfonamide?
The IUPAC name of 5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxy-N-[(2-methylphenyl)methyl]benzenesulfonamide (CID 20936573) is 5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxy-N-[(2-methylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxy-N-[(2-methylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxy-N-[(2-methylphenyl)methyl]benzenesulfonamide is COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)NCc1ccccc1C.
What is the InChIKey of 5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxy-N-[(2-methylphenyl)methyl]benzenesulfonamide?
The InChIKey is MLAFWWATRVOHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-13-7-5-6-8-17(13)12-21-27(23,24)19-11-16(9-10-18(19)25-4)20-14(2)15(3)22-26-20/h5-11,21H,12H2,1-4H3.
What are the key properties of 5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxy-N-[(2-methylphenyl)methyl]benzenesulfonamide?
5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxy-N-[(2-methylphenyl)methyl]benzenesulfonamide has a molecular weight of 386.47 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxy-N-[(2-methylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 20936573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).