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

C20H28N2O3S — CID 122491235

IUPAC(R)-N-[1-[2-[(4-methoxyphenyl)methoxymethyl]-4-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide
SMILESCOc1ccc(COCc2cc(C(C)N[S@](=O)C(C)(C)C)ccn2)cc1
InChIInChI=1S/C20H28N2O3S/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/h6-12,15,22H,13-14H2,1-5H3/t15?,26-/m1/s1
InChIKeyWYSPGSZSTOXZKV-LYGOMILNSA-N
MW376.52 g/mol
LogP3.92
Rot. Bonds8

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

(R)-N-[1-[2-[(4-methoxyphenyl)methoxymethyl]-4-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide (PubChem CID 122491235) has the molecular formula C20H28N2O3S and a molecular weight of 376.52 g/mol. Its IUPAC name is (R)-N-[1-[2-[(4-methoxyphenyl)methoxymethyl]-4-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[1-[2-[(4-methoxyphenyl)methoxymethyl]-4-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide
PubChem CID122491235
Molecular FormulaC20H28N2O3S
Molecular Weight376.52 g/mol
Exact Mass376.18
IUPAC Name(R)-N-[1-[2-[(4-methoxyphenyl)methoxymethyl]-4-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide
SMILESCOc1ccc(COCc2cc(C(C)N[S@](=O)C(C)(C)C)ccn2)cc1
InChIInChI=1S/C20H28N2O3S/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/h6-12,15,22H,13-14H2,1-5H3/t15?,26-/m1/s1
InChIKeyWYSPGSZSTOXZKV-LYGOMILNSA-N
XLogP3.92
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.52
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (R)-N-[1-[2-[(4-methoxyphenyl)methoxymethyl]-4-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[1-[2-[(4-methoxyphenyl)methoxymethyl]-4-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide (CID 122491235) is (R)-N-[1-[2-[(4-methoxyphenyl)methoxymethyl]-4-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[1-[2-[(4-methoxyphenyl)methoxymethyl]-4-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[1-[2-[(4-methoxyphenyl)methoxymethyl]-4-pyridinyl]ethyl]-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]ethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is WYSPGSZSTOXZKV-LYGOMILNSA-N. The full InChI is InChI=1S/C20H28N2O3S/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/h6-12,15,22H,13-14H2,1-5H3/t15?,26-/m1/s1.
What are the key properties of (R)-N-[1-[2-[(4-methoxyphenyl)methoxymethyl]-4-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide?
(R)-N-[1-[2-[(4-methoxyphenyl)methoxymethyl]-4-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 376.52 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 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]ethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 122491235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).