N-(4-methoxy-2-piperidin-1-ylsulfonylphenyl)-1-(4-phenylphenyl)methanimine

C25H26N2O3S — CID 23792525

IUPACN-(4-methoxy-2-piperidin-1-ylsulfonylphenyl)-1-(4-phenylphenyl)methanimine
SMILESCOc1ccc(/N=C/c2ccc(-c3ccccc3)cc2)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C25H26N2O3S/c1-30-23-14-15-24(25(18-23)31(28,29)27-16-6-3-7-17-27)26-19-20-10-12-22(13-11-20)21-8-4-2-5-9-21/h2,4-5,8-15,18-19H,3,6-7,16-17H2,1H3/b26-19+
InChIKeyRCTKZSOKSGTGSK-LGUFXXKBSA-N
MW434.56 g/mol
LogP5.29
Rot. Bonds6

About N-(4-methoxy-2-piperidin-1-ylsulfonylphenyl)-1-(4-phenylphenyl)methanimine

N-(4-methoxy-2-piperidin-1-ylsulfonylphenyl)-1-(4-phenylphenyl)methanimine (PubChem CID 23792525) has the molecular formula C25H26N2O3S and a molecular weight of 434.56 g/mol. Its IUPAC name is N-(4-methoxy-2-piperidin-1-ylsulfonylphenyl)-1-(4-phenylphenyl)methanimine.

Molecular Properties

Compound NameN-(4-methoxy-2-piperidin-1-ylsulfonylphenyl)-1-(4-phenylphenyl)methanimine
PubChem CID23792525
Molecular FormulaC25H26N2O3S
Molecular Weight434.56 g/mol
Exact Mass434.17
IUPAC NameN-(4-methoxy-2-piperidin-1-ylsulfonylphenyl)-1-(4-phenylphenyl)methanimine
SMILESCOc1ccc(/N=C/c2ccc(-c3ccccc3)cc2)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C25H26N2O3S/c1-30-23-14-15-24(25(18-23)31(28,29)27-16-6-3-7-17-27)26-19-20-10-12-22(13-11-20)21-8-4-2-5-9-21/h2,4-5,8-15,18-19H,3,6-7,16-17H2,1H3/b26-19+
InChIKeyRCTKZSOKSGTGSK-LGUFXXKBSA-N
XLogP5.29
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.56
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-N-(4-methoxy-2-piperidin-1-ylsulfonylphenyl)methanimine
CID 23856063
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-methoxyphenyl)methanimine
CID 4511187
N-(2-methoxy-4-piperidin-1-ylsulfonylphenyl)-1-pyridin-2-ylmethanimine
CID 23850129
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1-(4-nitrophenyl)methanimine
CID 5172630
(2E,6Z)-2-[(4-methoxyphenyl)methylidene]-6-[(4-phenylphenyl)methylidene]cyclohexan-1-one
CID 2313566
N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine
CID 6276598
1-(2,5-dimethoxyphenyl)sulfonyl-3-(phenoxymethyl)piperidine
CID 110410424
1-(2-methoxy-4-nitrosophenyl)sulfonylpiperidine
CID 88572074
1-(4-methoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)methanimine
CID 3494713
1-(2,5-dimethoxyphenyl)sulfonyl-4-(3-methoxyphenyl)piperazine
CID 3853607
4-(2,5-dimethoxyphenyl)sulfonyl-1,4-oxazepane
CID 4987826
1-(2-phenylphenyl)sulfonylpyrrolidine
CID 51112991

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-piperidin-1-ylsulfonylphenyl)-1-(4-phenylphenyl)methanimine?
The IUPAC name of N-(4-methoxy-2-piperidin-1-ylsulfonylphenyl)-1-(4-phenylphenyl)methanimine (CID 23792525) is N-(4-methoxy-2-piperidin-1-ylsulfonylphenyl)-1-(4-phenylphenyl)methanimine.
What is the SMILES notation for N-(4-methoxy-2-piperidin-1-ylsulfonylphenyl)-1-(4-phenylphenyl)methanimine?
The canonical SMILES for N-(4-methoxy-2-piperidin-1-ylsulfonylphenyl)-1-(4-phenylphenyl)methanimine is COc1ccc(/N=C/c2ccc(-c3ccccc3)cc2)c(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N-(4-methoxy-2-piperidin-1-ylsulfonylphenyl)-1-(4-phenylphenyl)methanimine?
The InChIKey is RCTKZSOKSGTGSK-LGUFXXKBSA-N. The full InChI is InChI=1S/C25H26N2O3S/c1-30-23-14-15-24(25(18-23)31(28,29)27-16-6-3-7-17-27)26-19-20-10-12-22(13-11-20)21-8-4-2-5-9-21/h2,4-5,8-15,18-19H,3,6-7,16-17H2,1H3/b26-19+.
What are the key properties of N-(4-methoxy-2-piperidin-1-ylsulfonylphenyl)-1-(4-phenylphenyl)methanimine?
N-(4-methoxy-2-piperidin-1-ylsulfonylphenyl)-1-(4-phenylphenyl)methanimine has a molecular weight of 434.56 g/mol, XLogP of 5.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-piperidin-1-ylsulfonylphenyl)-1-(4-phenylphenyl)methanimine is sourced from PubChem (CID 23792525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).