(4-methoxyphenyl)methylimino-methyl-[(3-methylphenyl)methyl]-oxo-λ6-sulfane

C17H21NO2S — CID 132546826

IUPAC(4-methoxyphenyl)methylimino-methyl-[(3-methylphenyl)methyl]-oxo-λ6-sulfane
SMILESCOc1ccc(CN=S(C)(=O)Cc2cccc(C)c2)cc1
InChIInChI=1S/C17H21NO2S/c1-14-5-4-6-16(11-14)13-21(3,19)18-12-15-7-9-17(20-2)10-8-15/h4-11H,12-13H2,1-3H3
InChIKeyLVRUKGCFFGAVEA-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.80
Rot. Bonds5

About (4-methoxyphenyl)methylimino-methyl-[(3-methylphenyl)methyl]-oxo-λ6-sulfane

(4-methoxyphenyl)methylimino-methyl-[(3-methylphenyl)methyl]-oxo-λ6-sulfane (PubChem CID 132546826) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is (4-methoxyphenyl)methylimino-methyl-[(3-methylphenyl)methyl]-oxo-λ6-sulfane.

Molecular Properties

Compound Name(4-methoxyphenyl)methylimino-methyl-[(3-methylphenyl)methyl]-oxo-λ6-sulfane
PubChem CID132546826
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC Name(4-methoxyphenyl)methylimino-methyl-[(3-methylphenyl)methyl]-oxo-λ6-sulfane
SMILESCOc1ccc(CN=S(C)(=O)Cc2cccc(C)c2)cc1
InChIInChI=1S/C17H21NO2S/c1-14-5-4-6-16(11-14)13-21(3,19)18-12-15-7-9-17(20-2)10-8-15/h4-11H,12-13H2,1-3H3
InChIKeyLVRUKGCFFGAVEA-UHFFFAOYSA-N
XLogP3.80
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 60798818
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N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1-(3-methylphenyl)methanesulfonamide
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CID 20702839
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-1-(3-methylphenyl)methanesulfonamide
CID 27450599
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CID 46988817
2-(4-methoxyphenyl)-2-[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]acetonitrile
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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methylimino-methyl-[(3-methylphenyl)methyl]-oxo-λ6-sulfane?
The IUPAC name of (4-methoxyphenyl)methylimino-methyl-[(3-methylphenyl)methyl]-oxo-λ6-sulfane (CID 132546826) is (4-methoxyphenyl)methylimino-methyl-[(3-methylphenyl)methyl]-oxo-λ6-sulfane.
What is the SMILES notation for (4-methoxyphenyl)methylimino-methyl-[(3-methylphenyl)methyl]-oxo-λ6-sulfane?
The canonical SMILES for (4-methoxyphenyl)methylimino-methyl-[(3-methylphenyl)methyl]-oxo-λ6-sulfane is COc1ccc(CN=S(C)(=O)Cc2cccc(C)c2)cc1.
What is the InChIKey of (4-methoxyphenyl)methylimino-methyl-[(3-methylphenyl)methyl]-oxo-λ6-sulfane?
The InChIKey is LVRUKGCFFGAVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-14-5-4-6-16(11-14)13-21(3,19)18-12-15-7-9-17(20-2)10-8-15/h4-11H,12-13H2,1-3H3.
What are the key properties of (4-methoxyphenyl)methylimino-methyl-[(3-methylphenyl)methyl]-oxo-λ6-sulfane?
(4-methoxyphenyl)methylimino-methyl-[(3-methylphenyl)methyl]-oxo-λ6-sulfane has a molecular weight of 303.43 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methylimino-methyl-[(3-methylphenyl)methyl]-oxo-λ6-sulfane is sourced from PubChem (CID 132546826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).