2-ethoxy-N,N-bis[(4-methoxyphenyl)methyl]-2-(5-methylpyrazin-2-yl)ethanesulfonamide

C25H31N3O5S — CID 145191460

IUPAC2-ethoxy-N,N-bis[(4-methoxyphenyl)methyl]-2-(5-methylpyrazin-2-yl)ethanesulfonamide
SMILESCCOC(CS(=O)(=O)N(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1)c1cnc(C)cn1
InChIInChI=1S/C25H31N3O5S/c1-5-33-25(24-15-26-19(2)14-27-24)18-34(29,30)28(16-20-6-10-22(31-3)11-7-20)17-21-8-12-23(32-4)13-9-21/h6-15,25H,5,16-18H2,1-4H3
InChIKeyXKYVVMPDNKGEHL-UHFFFAOYSA-N
MW485.61 g/mol
LogP3.91
Rot. Bonds12

About 2-ethoxy-N,N-bis[(4-methoxyphenyl)methyl]-2-(5-methylpyrazin-2-yl)ethanesulfonamide

2-ethoxy-N,N-bis[(4-methoxyphenyl)methyl]-2-(5-methylpyrazin-2-yl)ethanesulfonamide (PubChem CID 145191460) has the molecular formula C25H31N3O5S and a molecular weight of 485.61 g/mol. Its IUPAC name is 2-ethoxy-N,N-bis[(4-methoxyphenyl)methyl]-2-(5-methylpyrazin-2-yl)ethanesulfonamide.

Molecular Properties

Compound Name2-ethoxy-N,N-bis[(4-methoxyphenyl)methyl]-2-(5-methylpyrazin-2-yl)ethanesulfonamide
PubChem CID145191460
Molecular FormulaC25H31N3O5S
Molecular Weight485.61 g/mol
Exact Mass485.20
IUPAC Name2-ethoxy-N,N-bis[(4-methoxyphenyl)methyl]-2-(5-methylpyrazin-2-yl)ethanesulfonamide
SMILESCCOC(CS(=O)(=O)N(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1)c1cnc(C)cn1
InChIInChI=1S/C25H31N3O5S/c1-5-33-25(24-15-26-19(2)14-27-24)18-34(29,30)28(16-20-6-10-22(31-3)11-7-20)17-21-8-12-23(32-4)13-9-21/h6-15,25H,5,16-18H2,1-4H3
InChIKeyXKYVVMPDNKGEHL-UHFFFAOYSA-N
XLogP3.91
TPSA90.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.61
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-2-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-2-(5-methylpyrimidin-2-yl)ethanesulfonamide
CID 122702645
1-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methoxypyrazin-2-yl)propane-2-sulfonamide
CID 122702192
1-[[ethyl(sulfamoyl)amino]methyl]-4-methoxybenzene
CID 112686071
N,N-bis[(4-methoxyphenyl)methyl]-2-(3-oxocyclobutyl)propane-1-sulfonamide
CID 162473246
(2S)-N,N-bis[(4-methoxyphenyl)methyl]-2-(3-oxocyclobutyl)propane-1-sulfonamide
CID 154996476
(2S)-N,N-bis[(4-methoxyphenyl)methyl]-2-(1-methyl-3-oxocyclobutyl)propane-1-sulfonamide
CID 154996475
(1R,2R)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methoxypyrazin-2-yl)propane-2-sulfonamide
CID 122702149
N,N-bis[(4-methoxyphenyl)methyl]methanesulfonamide
CID 71200548
3,3,3-trifluoro-N,N-bis[(4-methoxyphenyl)methyl]propane-1-sulfonamide
CID 130367394
(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

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N,N-bis[(4-methoxyphenyl)methyl]-2-(5-methylpyrazin-2-yl)ethanesulfonamide?
The IUPAC name of 2-ethoxy-N,N-bis[(4-methoxyphenyl)methyl]-2-(5-methylpyrazin-2-yl)ethanesulfonamide (CID 145191460) is 2-ethoxy-N,N-bis[(4-methoxyphenyl)methyl]-2-(5-methylpyrazin-2-yl)ethanesulfonamide.
What is the SMILES notation for 2-ethoxy-N,N-bis[(4-methoxyphenyl)methyl]-2-(5-methylpyrazin-2-yl)ethanesulfonamide?
The canonical SMILES for 2-ethoxy-N,N-bis[(4-methoxyphenyl)methyl]-2-(5-methylpyrazin-2-yl)ethanesulfonamide is CCOC(CS(=O)(=O)N(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1)c1cnc(C)cn1.
What is the InChIKey of 2-ethoxy-N,N-bis[(4-methoxyphenyl)methyl]-2-(5-methylpyrazin-2-yl)ethanesulfonamide?
The InChIKey is XKYVVMPDNKGEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O5S/c1-5-33-25(24-15-26-19(2)14-27-24)18-34(29,30)28(16-20-6-10-22(31-3)11-7-20)17-21-8-12-23(32-4)13-9-21/h6-15,25H,5,16-18H2,1-4H3.
What are the key properties of 2-ethoxy-N,N-bis[(4-methoxyphenyl)methyl]-2-(5-methylpyrazin-2-yl)ethanesulfonamide?
2-ethoxy-N,N-bis[(4-methoxyphenyl)methyl]-2-(5-methylpyrazin-2-yl)ethanesulfonamide has a molecular weight of 485.61 g/mol, XLogP of 3.91, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N,N-bis[(4-methoxyphenyl)methyl]-2-(5-methylpyrazin-2-yl)ethanesulfonamide is sourced from PubChem (CID 145191460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).