4-methoxy-N-(1-phenyl-2-phenylsulfanyl-1-pyridin-2-ylethyl)aniline

C26H24N2OS — CID 171481976

IUPAC4-methoxy-N-(1-phenyl-2-phenylsulfanyl-1-pyridin-2-ylethyl)aniline
SMILESCOc1ccc(NC(CSc2ccccc2)(c2ccccc2)c2ccccn2)cc1
InChIInChI=1S/C26H24N2OS/c1-29-23-17-15-22(16-18-23)28-26(21-10-4-2-5-11-21,25-14-8-9-19-27-25)20-30-24-12-6-3-7-13-24/h2-19,28H,20H2,1H3
InChIKeyMXNKNXYNMKXGAZ-UHFFFAOYSA-N
MW412.56 g/mol
LogP6.24
Rot. Bonds8

About 4-methoxy-N-(1-phenyl-2-phenylsulfanyl-1-pyridin-2-ylethyl)aniline

4-methoxy-N-(1-phenyl-2-phenylsulfanyl-1-pyridin-2-ylethyl)aniline (PubChem CID 171481976) has the molecular formula C26H24N2OS and a molecular weight of 412.56 g/mol. Its IUPAC name is 4-methoxy-N-(1-phenyl-2-phenylsulfanyl-1-pyridin-2-ylethyl)aniline.

Molecular Properties

Compound Name4-methoxy-N-(1-phenyl-2-phenylsulfanyl-1-pyridin-2-ylethyl)aniline
PubChem CID171481976
Molecular FormulaC26H24N2OS
Molecular Weight412.56 g/mol
Exact Mass412.16
IUPAC Name4-methoxy-N-(1-phenyl-2-phenylsulfanyl-1-pyridin-2-ylethyl)aniline
SMILESCOc1ccc(NC(CSc2ccccc2)(c2ccccc2)c2ccccn2)cc1
InChIInChI=1S/C26H24N2OS/c1-29-23-17-15-22(16-18-23)28-26(21-10-4-2-5-11-21,25-14-8-9-19-27-25)20-30-24-12-6-3-7-13-24/h2-19,28H,20H2,1H3
InChIKeyMXNKNXYNMKXGAZ-UHFFFAOYSA-N
XLogP6.24
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.56
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyphenyl)sulfanyl-1,1-diphenylethanol
CID 2767182
4-methoxy-N-[(E)-phenylsulfanylmethyldiazenyl]aniline
CID 12707723
(1S)-1-(4-methoxyphenyl)-3-methyl-1-pyridin-2-ylbutan-1-ol
CID 129364593
(2S,3S)-2-(4-methoxyphenyl)-3-pyridin-2-ylpentan-3-ol
CID 125488147
2-(4-methoxyanilino)-2-phenylbutan-1-ol
CID 61045130
4-[[(4-methoxyphenyl)-diphenylmethyl]amino]benzoic acid
CID 13008997
N-(4-methoxyphenyl)-2-methylsulfanylpyridin-3-amine
CID 53355224
4-[1-(4-hydroxyphenyl)-1-phenylpropyl]phenol;4-methoxy-N-(4-methoxyphenyl)aniline
CID 18698969
1-(4-methoxyphenyl)-2-(pyridin-2-ylamino)propan-2-ol
CID 161335434
(1S)-1-(4-methoxyphenyl)-1-phenylethanamine
CID 93047943
2-N-(4-methoxyphenyl)-6-(pyrimidin-2-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine
CID 940705
4-methoxy-N-[(3R)-3-phenyl-3-pyridin-2-ylpropyl]aniline
CID 138980750

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(1-phenyl-2-phenylsulfanyl-1-pyridin-2-ylethyl)aniline?
The IUPAC name of 4-methoxy-N-(1-phenyl-2-phenylsulfanyl-1-pyridin-2-ylethyl)aniline (CID 171481976) is 4-methoxy-N-(1-phenyl-2-phenylsulfanyl-1-pyridin-2-ylethyl)aniline.
What is the SMILES notation for 4-methoxy-N-(1-phenyl-2-phenylsulfanyl-1-pyridin-2-ylethyl)aniline?
The canonical SMILES for 4-methoxy-N-(1-phenyl-2-phenylsulfanyl-1-pyridin-2-ylethyl)aniline is COc1ccc(NC(CSc2ccccc2)(c2ccccc2)c2ccccn2)cc1.
What is the InChIKey of 4-methoxy-N-(1-phenyl-2-phenylsulfanyl-1-pyridin-2-ylethyl)aniline?
The InChIKey is MXNKNXYNMKXGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2OS/c1-29-23-17-15-22(16-18-23)28-26(21-10-4-2-5-11-21,25-14-8-9-19-27-25)20-30-24-12-6-3-7-13-24/h2-19,28H,20H2,1H3.
What are the key properties of 4-methoxy-N-(1-phenyl-2-phenylsulfanyl-1-pyridin-2-ylethyl)aniline?
4-methoxy-N-(1-phenyl-2-phenylsulfanyl-1-pyridin-2-ylethyl)aniline has a molecular weight of 412.56 g/mol, XLogP of 6.24, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(1-phenyl-2-phenylsulfanyl-1-pyridin-2-ylethyl)aniline is sourced from PubChem (CID 171481976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).