(R)-N-[1-[2-[(4-methoxyphenyl)methoxymethyl]-4-pyridinyl]ethylidene]-2-methylpropane-2-sulfinamide

C20H26N2O3S — CID 154018554

IUPAC(R)-N-[1-[2-[(4-methoxyphenyl)methoxymethyl]-4-pyridinyl]ethylidene]-2-methylpropane-2-sulfinamide
SMILESCOc1ccc(COCc2cc(C(C)=N[S@](=O)C(C)(C)C)ccn2)cc1
InChIInChI=1S/C20H26N2O3S/c1-15(22-26(23)20(2,3)4)17-10-11-21-18(12-17)14-25-13-16-6-8-19(24-5)9-7-16/h6-12H,13-14H2,1-5H3/t26-/m1/s1
InChIKeyWNOCMQUYHFYCLE-AREMUKBSSA-N
MW374.51 g/mol
LogP4.08
Rot. Bonds7

About (R)-N-[1-[2-[(4-methoxyphenyl)methoxymethyl]-4-pyridinyl]ethylidene]-2-methylpropane-2-sulfinamide

(R)-N-[1-[2-[(4-methoxyphenyl)methoxymethyl]-4-pyridinyl]ethylidene]-2-methylpropane-2-sulfinamide (PubChem CID 154018554) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is (R)-N-[1-[2-[(4-methoxyphenyl)methoxymethyl]-4-pyridinyl]ethylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[1-[2-[(4-methoxyphenyl)methoxymethyl]-4-pyridinyl]ethylidene]-2-methylpropane-2-sulfinamide
PubChem CID154018554
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name(R)-N-[1-[2-[(4-methoxyphenyl)methoxymethyl]-4-pyridinyl]ethylidene]-2-methylpropane-2-sulfinamide
SMILESCOc1ccc(COCc2cc(C(C)=N[S@](=O)C(C)(C)C)ccn2)cc1
InChIInChI=1S/C20H26N2O3S/c1-15(22-26(23)20(2,3)4)17-10-11-21-18(12-17)14-25-13-16-6-8-19(24-5)9-7-16/h6-12H,13-14H2,1-5H3/t26-/m1/s1
InChIKeyWNOCMQUYHFYCLE-AREMUKBSSA-N
XLogP4.08
TPSA60.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 54.08
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

(R)-N-[1-[2-[(4-methoxyphenyl)methoxymethyl]-4-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide
CID 122491235
5-[N-[(R)-tert-butylsulfinyl]-C-methylcarbonimidoyl]-3-[(4-methoxyphenyl)methoxy]-7-methylquinoxaline-2-carboxamide
CID 172522140
[4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]methanol
CID 61256974
(S)-N-[1-(3-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 131748352
[2-(phenylmethoxymethyl)-4-pyridinyl] hydrogen carbonate
CID 67866400
(NZ,R)-N-[1-[2-[bis[(4-methoxyphenyl)methyl]amino]-3-pyridinyl]-2,2-difluoroethylidene]-2-methylpropane-2-sulfinamide
CID 178027392
2-methoxy-4-[(4-methoxyphenyl)methoxy]pyridine
CID 70697685
N-[(1-acetylpyrrolidin-3-yl)-[4,5-dichloro-2-[(4-methoxyphenyl)methoxy]phenyl]methylidene]-2-methylpropane-2-sulfinamide
CID 156722930
(NE)-N-[(3-bromophenyl)-(4-methoxyphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 71680686
4-[(4-methoxyphenyl)methoxymethyl]pyridine-2-carboximidamide
CID 63882445
N'-hydroxy-4-[(4-methoxyphenyl)methoxymethyl]benzenecarboximidamide
CID 43196897
(NE,R)-N-[1-(2-chloro-4-pyridinyl)propylidene]-2-methylpropane-2-sulfinamide
CID 170702357

Frequently Asked Questions

What is the IUPAC name of (R)-N-[1-[2-[(4-methoxyphenyl)methoxymethyl]-4-pyridinyl]ethylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[1-[2-[(4-methoxyphenyl)methoxymethyl]-4-pyridinyl]ethylidene]-2-methylpropane-2-sulfinamide (CID 154018554) is (R)-N-[1-[2-[(4-methoxyphenyl)methoxymethyl]-4-pyridinyl]ethylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[1-[2-[(4-methoxyphenyl)methoxymethyl]-4-pyridinyl]ethylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[1-[2-[(4-methoxyphenyl)methoxymethyl]-4-pyridinyl]ethylidene]-2-methylpropane-2-sulfinamide is COc1ccc(COCc2cc(C(C)=N[S@](=O)C(C)(C)C)ccn2)cc1.
What is the InChIKey of (R)-N-[1-[2-[(4-methoxyphenyl)methoxymethyl]-4-pyridinyl]ethylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is WNOCMQUYHFYCLE-AREMUKBSSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-15(22-26(23)20(2,3)4)17-10-11-21-18(12-17)14-25-13-16-6-8-19(24-5)9-7-16/h6-12H,13-14H2,1-5H3/t26-/m1/s1.
What are the key properties of (R)-N-[1-[2-[(4-methoxyphenyl)methoxymethyl]-4-pyridinyl]ethylidene]-2-methylpropane-2-sulfinamide?
(R)-N-[1-[2-[(4-methoxyphenyl)methoxymethyl]-4-pyridinyl]ethylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 374.51 g/mol, XLogP of 4.08, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[1-[2-[(4-methoxyphenyl)methoxymethyl]-4-pyridinyl]ethylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 154018554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).