methanol;1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-N-[1-(5-methoxypyrazin-2-yl)propan-2-ylsulfanyl]methanamine

C25H33N3O4S — CID 145191197

IUPACmethanol;1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-N-[1-(5-methoxypyrazin-2-yl)propan-2-ylsulfanyl]methanamine
SMILESCO.COc1ccc(CN(Cc2ccc(OC)cc2)SC(C)Cc2cnc(OC)cn2)cc1
InChIInChI=1S/C24H29N3O3S.CH4O/c1-18(13-21-14-26-24(30-4)15-25-21)31-27(16-19-5-9-22(28-2)10-6-19)17-20-7-11-23(29-3)12-8-20;1-2/h5-12,14-15,18H,13,16-17H2,1-4H3;2H,1H3
InChIKeyIKUSVDANEBJJAA-UHFFFAOYSA-N
MW471.62 g/mol
LogP4.39
Rot. Bonds11

About methanol;1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-N-[1-(5-methoxypyrazin-2-yl)propan-2-ylsulfanyl]methanamine

methanol;1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-N-[1-(5-methoxypyrazin-2-yl)propan-2-ylsulfanyl]methanamine (PubChem CID 145191197) has the molecular formula C25H33N3O4S and a molecular weight of 471.62 g/mol. Its IUPAC name is methanol;1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-N-[1-(5-methoxypyrazin-2-yl)propan-2-ylsulfanyl]methanamine.

Molecular Properties

Compound Namemethanol;1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-N-[1-(5-methoxypyrazin-2-yl)propan-2-ylsulfanyl]methanamine
PubChem CID145191197
Molecular FormulaC25H33N3O4S
Molecular Weight471.62 g/mol
Exact Mass471.22
IUPAC Namemethanol;1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-N-[1-(5-methoxypyrazin-2-yl)propan-2-ylsulfanyl]methanamine
SMILESCO.COc1ccc(CN(Cc2ccc(OC)cc2)SC(C)Cc2cnc(OC)cn2)cc1
InChIInChI=1S/C24H29N3O3S.CH4O/c1-18(13-21-14-26-24(30-4)15-25-21)31-27(16-19-5-9-22(28-2)10-6-19)17-20-7-11-23(29-3)12-8-20;1-2/h5-12,14-15,18H,13,16-17H2,1-4H3;2H,1H3
InChIKeyIKUSVDANEBJJAA-UHFFFAOYSA-N
XLogP4.39
TPSA76.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.62
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methoxypyrazin-2-yl)propane-2-sulfonamide
CID 122702192
3-(5-methoxypyrazin-2-yl)-2-methylpropanoic acid
CID 83831149
N-hydroxy-1-(5-methoxypyrazin-2-yl)propane-2-sulfonamide
CID 122702466
(1R,2R)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methoxypyrazin-2-yl)propane-2-sulfonamide
CID 122702149
(1R,2R)-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methoxypyrazin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide
CID 122702254
2-[bis[(4-methoxyphenyl)methyl]amino]sulfanyl-1-(5-fluoropyrimidin-2-yl)ethanol
CID 142359421
(1S)-1-[5-[(4-methoxyphenyl)methyl-methylamino]-2-pyridinyl]ethanol
CID 83131957
6-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyridin-3-amine
CID 115486915
1-(5-methoxy-2-pyridinyl)propan-2-ol
CID 83675700
2-[(4-methoxyphenyl)methyl]-4,5-dimethylpyridine
CID 11172203
N-[[5-(4-methoxyphenoxy)pyrazin-2-yl]methyl]ethanamine
CID 107381915
4-[[butan-2-yl-[(4-methoxyphenyl)methyl]amino]methyl]phenol
CID 143325081

Frequently Asked Questions

What is the IUPAC name of methanol;1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-N-[1-(5-methoxypyrazin-2-yl)propan-2-ylsulfanyl]methanamine?
The IUPAC name of methanol;1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-N-[1-(5-methoxypyrazin-2-yl)propan-2-ylsulfanyl]methanamine (CID 145191197) is methanol;1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-N-[1-(5-methoxypyrazin-2-yl)propan-2-ylsulfanyl]methanamine.
What is the SMILES notation for methanol;1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-N-[1-(5-methoxypyrazin-2-yl)propan-2-ylsulfanyl]methanamine?
The canonical SMILES for methanol;1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-N-[1-(5-methoxypyrazin-2-yl)propan-2-ylsulfanyl]methanamine is CO.COc1ccc(CN(Cc2ccc(OC)cc2)SC(C)Cc2cnc(OC)cn2)cc1.
What is the InChIKey of methanol;1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-N-[1-(5-methoxypyrazin-2-yl)propan-2-ylsulfanyl]methanamine?
The InChIKey is IKUSVDANEBJJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3S.CH4O/c1-18(13-21-14-26-24(30-4)15-25-21)31-27(16-19-5-9-22(28-2)10-6-19)17-20-7-11-23(29-3)12-8-20;1-2/h5-12,14-15,18H,13,16-17H2,1-4H3;2H,1H3.
What are the key properties of methanol;1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-N-[1-(5-methoxypyrazin-2-yl)propan-2-ylsulfanyl]methanamine?
methanol;1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-N-[1-(5-methoxypyrazin-2-yl)propan-2-ylsulfanyl]methanamine has a molecular weight of 471.62 g/mol, XLogP of 4.39, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-N-[1-(5-methoxypyrazin-2-yl)propan-2-ylsulfanyl]methanamine is sourced from PubChem (CID 145191197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).