1-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methoxypyrazin-2-yl)propane-2-sulfonamide

C24H29N3O6S — CID 122702192

IUPAC1-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methoxypyrazin-2-yl)propane-2-sulfonamide
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)C(C)C(O)c2cnc(OC)cn2)cc1
InChIInChI=1S/C24H29N3O6S/c1-17(24(28)22-13-26-23(33-4)14-25-22)34(29,30)27(15-18-5-9-20(31-2)10-6-18)16-19-7-11-21(32-3)12-8-19/h5-14,17,24,28H,15-16H2,1-4H3
InChIKeyBXDVROJKIGLJEC-UHFFFAOYSA-N
MW487.58 g/mol
LogP2.96
Rot. Bonds11

About 1-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methoxypyrazin-2-yl)propane-2-sulfonamide

1-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methoxypyrazin-2-yl)propane-2-sulfonamide (PubChem CID 122702192) has the molecular formula C24H29N3O6S and a molecular weight of 487.58 g/mol. Its IUPAC name is 1-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methoxypyrazin-2-yl)propane-2-sulfonamide.

Molecular Properties

Compound Name1-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methoxypyrazin-2-yl)propane-2-sulfonamide
PubChem CID122702192
Molecular FormulaC24H29N3O6S
Molecular Weight487.58 g/mol
Exact Mass487.18
IUPAC Name1-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methoxypyrazin-2-yl)propane-2-sulfonamide
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)C(C)C(O)c2cnc(OC)cn2)cc1
InChIInChI=1S/C24H29N3O6S/c1-17(24(28)22-13-26-23(33-4)14-25-22)34(29,30)27(15-18-5-9-20(31-2)10-6-18)16-19-7-11-21(32-3)12-8-19/h5-14,17,24,28H,15-16H2,1-4H3
InChIKeyBXDVROJKIGLJEC-UHFFFAOYSA-N
XLogP2.96
TPSA111.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.58
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(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
(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
(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
(1R,2S)-1-(2,4-dibromophenyl)-1-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]propane-2-sulfonamide
CID 122702342
(1S,2S)-1-(5-fluoropyrimidin-2-yl)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]propane-2-sulfonamide
CID 134542446
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
1-amino-N,N-bis[(4-methoxyphenyl)methyl]ethanesulfonamide
CID 70852168
N,N-bis[(4-methoxyphenyl)methyl]-3-methyl-5-oxopentane-2-sulfonamide
CID 170936388
(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
(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

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methoxypyrazin-2-yl)propane-2-sulfonamide?
The IUPAC name of 1-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methoxypyrazin-2-yl)propane-2-sulfonamide (CID 122702192) is 1-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methoxypyrazin-2-yl)propane-2-sulfonamide.
What is the SMILES notation for 1-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methoxypyrazin-2-yl)propane-2-sulfonamide?
The canonical SMILES for 1-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methoxypyrazin-2-yl)propane-2-sulfonamide is COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)C(C)C(O)c2cnc(OC)cn2)cc1.
What is the InChIKey of 1-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methoxypyrazin-2-yl)propane-2-sulfonamide?
The InChIKey is BXDVROJKIGLJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O6S/c1-17(24(28)22-13-26-23(33-4)14-25-22)34(29,30)27(15-18-5-9-20(31-2)10-6-18)16-19-7-11-21(32-3)12-8-19/h5-14,17,24,28H,15-16H2,1-4H3.
What are the key properties of 1-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methoxypyrazin-2-yl)propane-2-sulfonamide?
1-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methoxypyrazin-2-yl)propane-2-sulfonamide has a molecular weight of 487.58 g/mol, XLogP of 2.96, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methoxypyrazin-2-yl)propane-2-sulfonamide is sourced from PubChem (CID 122702192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).