(2R)-2-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-2-(5-methylpyrimidin-2-yl)ethanesulfonamide

C23H27N3O5S — CID 122702645

IUPAC(2R)-2-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-2-(5-methylpyrimidin-2-yl)ethanesulfonamide
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)C[C@H](O)c2ncc(C)cn2)cc1
InChIInChI=1S/C23H27N3O5S/c1-17-12-24-23(25-13-17)22(27)16-32(28,29)26(14-18-4-8-20(30-2)9-5-18)15-19-6-10-21(31-3)11-7-19/h4-13,22,27H,14-16H2,1-3H3/t22-/m0/s1
InChIKeyPJQZNJRWTGEPQS-QFIPXVFZSA-N
MW457.55 g/mol
LogP2.87
Rot. Bonds10

About (2R)-2-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-2-(5-methylpyrimidin-2-yl)ethanesulfonamide

(2R)-2-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-2-(5-methylpyrimidin-2-yl)ethanesulfonamide (PubChem CID 122702645) has the molecular formula C23H27N3O5S and a molecular weight of 457.55 g/mol. Its IUPAC name is (2R)-2-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-2-(5-methylpyrimidin-2-yl)ethanesulfonamide.

Molecular Properties

Compound Name(2R)-2-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-2-(5-methylpyrimidin-2-yl)ethanesulfonamide
PubChem CID122702645
Molecular FormulaC23H27N3O5S
Molecular Weight457.55 g/mol
Exact Mass457.17
IUPAC Name(2R)-2-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-2-(5-methylpyrimidin-2-yl)ethanesulfonamide
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)C[C@H](O)c2ncc(C)cn2)cc1
InChIInChI=1S/C23H27N3O5S/c1-17-12-24-23(25-13-17)22(27)16-32(28,29)26(14-18-4-8-20(30-2)9-5-18)15-19-6-10-21(31-3)11-7-19/h4-13,22,27H,14-16H2,1-3H3/t22-/m0/s1
InChIKeyPJQZNJRWTGEPQS-QFIPXVFZSA-N
XLogP2.87
TPSA101.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.55
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)-1-oxopropane-2-sulfonamide;(2S)-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)-1-oxopropane-2-sulfonamide;(1R,2S)-1-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide
CID 157079638
N,N-bis[(4-methoxyphenyl)methyl]ethanesulfonamide;(1R,2S)-N-[(4-ethylphenyl)methyl]-1-hydroxy-N-[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide;(1S,2S)-N-[(4-ethylphenyl)methyl]-1-hydroxy-N-[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide;(1R,2R)-N-[(4-ethylphenyl)methyl]-1-hydroxy-N-[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide;(1S,2R)-N-[(4-ethylphenyl)methyl]-1-hydroxy-N-[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide;5-methylpyrimidine-2-carbaldehyde
CID 157245689
(1R,2S)-1-[(2R)-2,3-dihydroxypropoxy]-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide;(1R,2S)-1-[(2S)-2,3-dihydroxypropoxy]-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide;(1R,2S)-1-(2-hydroxyethoxy)-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide
CID 162033839
(2S)-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)-1-oxopropane-2-sulfonamide
CID 122701180
(1R,2S)-1-(2-hydroxyethoxy)-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide;(1R,2S)-1-(2-methoxyethoxy)-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide
CID 161093660
2-ethoxy-N,N-bis[(4-methoxyphenyl)methyl]-2-(5-methylpyrazin-2-yl)ethanesulfonamide
CID 145191460
1-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methoxypyrazin-2-yl)propane-2-sulfonamide
CID 122702192
N,N-bis[(4-methoxyphenyl)methyl]methanesulfonamide
CID 71200548
(1S,2S)-1-(5-chloro-2-pyridinyl)-1-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]propane-2-sulfonamide
CID 122701832
(1S,2S)-1-(5-fluoro-2-pyridinyl)-1-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]propane-2-sulfonamide
CID 122702089
(1S,2S)-1-(5-fluoropyrimidin-2-yl)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]propane-2-sulfonamide
CID 134542446
(2S)-N,N-bis[(4-methoxyphenyl)methyl]-2-(3-oxocyclobutyl)propane-1-sulfonamide
CID 154996476

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-2-(5-methylpyrimidin-2-yl)ethanesulfonamide?
The IUPAC name of (2R)-2-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-2-(5-methylpyrimidin-2-yl)ethanesulfonamide (CID 122702645) is (2R)-2-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-2-(5-methylpyrimidin-2-yl)ethanesulfonamide.
What is the SMILES notation for (2R)-2-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-2-(5-methylpyrimidin-2-yl)ethanesulfonamide?
The canonical SMILES for (2R)-2-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-2-(5-methylpyrimidin-2-yl)ethanesulfonamide is COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)C[C@H](O)c2ncc(C)cn2)cc1.
What is the InChIKey of (2R)-2-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-2-(5-methylpyrimidin-2-yl)ethanesulfonamide?
The InChIKey is PJQZNJRWTGEPQS-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H27N3O5S/c1-17-12-24-23(25-13-17)22(27)16-32(28,29)26(14-18-4-8-20(30-2)9-5-18)15-19-6-10-21(31-3)11-7-19/h4-13,22,27H,14-16H2,1-3H3/t22-/m0/s1.
What are the key properties of (2R)-2-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-2-(5-methylpyrimidin-2-yl)ethanesulfonamide?
(2R)-2-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-2-(5-methylpyrimidin-2-yl)ethanesulfonamide has a molecular weight of 457.55 g/mol, XLogP of 2.87, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-2-(5-methylpyrimidin-2-yl)ethanesulfonamide is sourced from PubChem (CID 122702645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).