2-[(4-methoxyphenyl)methoxy]-1-[methyl-[1-(6-methyl-3-pyridinyl)ethyl]-oxo-λ6-sulfanylidene]guanidine

C18H24N4O3S — CID 123276887

IUPAC2-[(4-methoxyphenyl)methoxy]-1-[methyl-[1-(6-methyl-3-pyridinyl)ethyl]-oxo-λ6-sulfanylidene]guanidine
SMILESCOc1ccc(CO/N=C(/N)N=S(C)(=O)C(C)c2ccc(C)nc2)cc1
InChIInChI=1S/C18H24N4O3S/c1-13-5-8-16(11-20-13)14(2)26(4,23)22-18(19)21-25-12-15-6-9-17(24-3)10-7-15/h5-11,14H,12H2,1-4H3,(H2,19,21)
InChIKeyZNNWGJWZUJPRJK-UHFFFAOYSA-N
MW376.48 g/mol
LogP3.00
Rot. Bonds6

About 2-[(4-methoxyphenyl)methoxy]-1-[methyl-[1-(6-methyl-3-pyridinyl)ethyl]-oxo-λ6-sulfanylidene]guanidine

2-[(4-methoxyphenyl)methoxy]-1-[methyl-[1-(6-methyl-3-pyridinyl)ethyl]-oxo-λ6-sulfanylidene]guanidine (PubChem CID 123276887) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methoxy]-1-[methyl-[1-(6-methyl-3-pyridinyl)ethyl]-oxo-λ6-sulfanylidene]guanidine.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methoxy]-1-[methyl-[1-(6-methyl-3-pyridinyl)ethyl]-oxo-λ6-sulfanylidene]guanidine
PubChem CID123276887
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC Name2-[(4-methoxyphenyl)methoxy]-1-[methyl-[1-(6-methyl-3-pyridinyl)ethyl]-oxo-λ6-sulfanylidene]guanidine
SMILESCOc1ccc(CO/N=C(/N)N=S(C)(=O)C(C)c2ccc(C)nc2)cc1
InChIInChI=1S/C18H24N4O3S/c1-13-5-8-16(11-20-13)14(2)26(4,23)22-18(19)21-25-12-15-6-9-17(24-3)10-7-15/h5-11,14H,12H2,1-4H3,(H2,19,21)
InChIKeyZNNWGJWZUJPRJK-UHFFFAOYSA-N
XLogP3.00
TPSA99.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(4-Methoxyphenyl)methyl]pyridine-4-carbothioamide
CID 145993189
(Z)-4-(4-methoxyphenyl)-3-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-thiazol-2-imine
CID 137636782
imino-(2-methoxyphenyl)-oxo-[(E)-2-[3-(trifluoromethyl)-2-pyridinyl]ethenyl]-lambda6-sulfane
CID 170607336
N,N-diethyl-4-(4-methoxyphenyl)-1,1-dioxo-5-pyridin-2-yl-1,2-thiazol-3-amine
CID 11143204
N-[(4-methoxyphenyl)methoxy]-1-phenyl-N-(pyridin-2-ylmethyl)methanamine
CID 54757534
2-methylsulfonyl-N-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]ethanamine
CID 56820921
2-methylsulfonyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]ethanamine
CID 56820923
(NE)-N-[[2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-pyridinyl]methylidene]hydroxylamine
CID 142575102
2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-(pyridin-2-ylmethyl)ethanesulfonamide
CID 169225203
2-(4-methoxyphenyl)-N-phenethyl-N-(pyridin-2-ylmethyl)ethanesulfonamide
CID 52906764
2-[(4-Methoxyphenyl)-phenylsulfanyl-methyl]pyridine
CID 71502322
(E)-4-(4-methoxyphenyl)-3-methyl-N-[(E)-1-pyridin-3-ylethylideneamino]-1,3-thiazol-2-imine
CID 178307723

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methoxy]-1-[methyl-[1-(6-methyl-3-pyridinyl)ethyl]-oxo-λ6-sulfanylidene]guanidine?
The IUPAC name of 2-[(4-methoxyphenyl)methoxy]-1-[methyl-[1-(6-methyl-3-pyridinyl)ethyl]-oxo-λ6-sulfanylidene]guanidine (CID 123276887) is 2-[(4-methoxyphenyl)methoxy]-1-[methyl-[1-(6-methyl-3-pyridinyl)ethyl]-oxo-λ6-sulfanylidene]guanidine.
What is the SMILES notation for 2-[(4-methoxyphenyl)methoxy]-1-[methyl-[1-(6-methyl-3-pyridinyl)ethyl]-oxo-λ6-sulfanylidene]guanidine?
The canonical SMILES for 2-[(4-methoxyphenyl)methoxy]-1-[methyl-[1-(6-methyl-3-pyridinyl)ethyl]-oxo-λ6-sulfanylidene]guanidine is COc1ccc(CO/N=C(/N)N=S(C)(=O)C(C)c2ccc(C)nc2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methoxy]-1-[methyl-[1-(6-methyl-3-pyridinyl)ethyl]-oxo-λ6-sulfanylidene]guanidine?
The InChIKey is ZNNWGJWZUJPRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-13-5-8-16(11-20-13)14(2)26(4,23)22-18(19)21-25-12-15-6-9-17(24-3)10-7-15/h5-11,14H,12H2,1-4H3,(H2,19,21).
What are the key properties of 2-[(4-methoxyphenyl)methoxy]-1-[methyl-[1-(6-methyl-3-pyridinyl)ethyl]-oxo-λ6-sulfanylidene]guanidine?
2-[(4-methoxyphenyl)methoxy]-1-[methyl-[1-(6-methyl-3-pyridinyl)ethyl]-oxo-λ6-sulfanylidene]guanidine has a molecular weight of 376.48 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methoxy]-1-[methyl-[1-(6-methyl-3-pyridinyl)ethyl]-oxo-λ6-sulfanylidene]guanidine is sourced from PubChem (CID 123276887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).