[2-methoxy-6-(4-methylphenyl)sulfinylphenyl]-(2,2,4,4-tetramethyl-1,3-oxazolidin-3-yl)methanone

C22H27NO4S — CID 101181361

IUPAC[2-methoxy-6-(4-methylphenyl)sulfinylphenyl]-(2,2,4,4-tetramethyl-1,3-oxazolidin-3-yl)methanone
SMILESCOc1cccc(S(=O)c2ccc(C)cc2)c1C(=O)N1C(C)(C)COC1(C)C
InChIInChI=1S/C22H27NO4S/c1-15-10-12-16(13-11-15)28(25)18-9-7-8-17(26-6)19(18)20(24)23-21(2,3)14-27-22(23,4)5/h7-13H,14H2,1-6H3
InChIKeyBXUQSSVOHWIRAA-UHFFFAOYSA-N
MW401.53 g/mol
LogP4.16
Rot. Bonds4

About [2-methoxy-6-(4-methylphenyl)sulfinylphenyl]-(2,2,4,4-tetramethyl-1,3-oxazolidin-3-yl)methanone

[2-methoxy-6-(4-methylphenyl)sulfinylphenyl]-(2,2,4,4-tetramethyl-1,3-oxazolidin-3-yl)methanone (PubChem CID 101181361) has the molecular formula C22H27NO4S and a molecular weight of 401.53 g/mol. Its IUPAC name is [2-methoxy-6-(4-methylphenyl)sulfinylphenyl]-(2,2,4,4-tetramethyl-1,3-oxazolidin-3-yl)methanone.

Molecular Properties

Compound Name[2-methoxy-6-(4-methylphenyl)sulfinylphenyl]-(2,2,4,4-tetramethyl-1,3-oxazolidin-3-yl)methanone
PubChem CID101181361
Molecular FormulaC22H27NO4S
Molecular Weight401.53 g/mol
Exact Mass401.17
IUPAC Name[2-methoxy-6-(4-methylphenyl)sulfinylphenyl]-(2,2,4,4-tetramethyl-1,3-oxazolidin-3-yl)methanone
SMILESCOc1cccc(S(=O)c2ccc(C)cc2)c1C(=O)N1C(C)(C)COC1(C)C
InChIInChI=1S/C22H27NO4S/c1-15-10-12-16(13-11-15)28(25)18-9-7-8-17(26-6)19(18)20(24)23-21(2,3)14-27-22(23,4)5/h7-13H,14H2,1-6H3
InChIKeyBXUQSSVOHWIRAA-UHFFFAOYSA-N
XLogP4.16
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-methoxy-6-(4-methylphenyl)sulfinylphenyl]-(2,2,4,4-tetramethyl-1,3-oxazolidin-3-yl)methanone with MolForge

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Related Compounds

[2-(1-hydroxypropyl)-6-methoxyphenyl]-(2,2,4,4-tetramethyl-1,3-oxazolidin-3-yl)methanone
CID 11359144
(2,6-dimethoxyphenyl)-(2,4,4-trimethyl-1,3-oxazolidin-3-yl)methanone
CID 110740794
(2,6-dimethoxyphenyl)-(2,5,5-trimethylmorpholin-4-yl)methanone
CID 112507460
[(2R)-4-(2-methoxyphenyl)-1-oxo-1-phenylbutan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 134905351
1-bromo-2,5-dimethoxy-4-[(S)-(4-methylphenyl)sulfinyl]benzene
CID 134969171
(2,6-dimethoxyphenyl)-(5,5-dimethyl-2-phenylmorpholin-4-yl)methanone
CID 110327316
5,7-dimethoxy-8-methyl-3-(4-methylphenyl)sulfinylchromen-4-one
CID 15896343
2,6-dimethoxy-N-[(4-methylphenyl)methyl]benzamide
CID 743463
1-(2,6-dimethoxyphenyl)-2-(4-methylphenyl)sulfanylethanone
CID 116810019
(2-acetyl-3-methoxyphenyl) 4-methylbenzoate
CID 10334058
2-[4,5-dimethyl-2-(4-methylphenyl)sulfinylphenyl]-4,4-dimethyl-5H-1,3-oxazole
CID 147716280
(2S,3S)-2-methyl-3-[2-[(S)-(4-methylphenyl)sulfinyl]phenyl]-2-phenyloxirane
CID 139038697

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-6-(4-methylphenyl)sulfinylphenyl]-(2,2,4,4-tetramethyl-1,3-oxazolidin-3-yl)methanone?
The IUPAC name of [2-methoxy-6-(4-methylphenyl)sulfinylphenyl]-(2,2,4,4-tetramethyl-1,3-oxazolidin-3-yl)methanone (CID 101181361) is [2-methoxy-6-(4-methylphenyl)sulfinylphenyl]-(2,2,4,4-tetramethyl-1,3-oxazolidin-3-yl)methanone.
What is the SMILES notation for [2-methoxy-6-(4-methylphenyl)sulfinylphenyl]-(2,2,4,4-tetramethyl-1,3-oxazolidin-3-yl)methanone?
The canonical SMILES for [2-methoxy-6-(4-methylphenyl)sulfinylphenyl]-(2,2,4,4-tetramethyl-1,3-oxazolidin-3-yl)methanone is COc1cccc(S(=O)c2ccc(C)cc2)c1C(=O)N1C(C)(C)COC1(C)C.
What is the InChIKey of [2-methoxy-6-(4-methylphenyl)sulfinylphenyl]-(2,2,4,4-tetramethyl-1,3-oxazolidin-3-yl)methanone?
The InChIKey is BXUQSSVOHWIRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO4S/c1-15-10-12-16(13-11-15)28(25)18-9-7-8-17(26-6)19(18)20(24)23-21(2,3)14-27-22(23,4)5/h7-13H,14H2,1-6H3.
What are the key properties of [2-methoxy-6-(4-methylphenyl)sulfinylphenyl]-(2,2,4,4-tetramethyl-1,3-oxazolidin-3-yl)methanone?
[2-methoxy-6-(4-methylphenyl)sulfinylphenyl]-(2,2,4,4-tetramethyl-1,3-oxazolidin-3-yl)methanone has a molecular weight of 401.53 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-6-(4-methylphenyl)sulfinylphenyl]-(2,2,4,4-tetramethyl-1,3-oxazolidin-3-yl)methanone is sourced from PubChem (CID 101181361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).