N-[3-methoxy-2-(4-methylpiperazin-1-yl)-6-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylamino]phenyl]acetamide

C25H34N4O7S — CID 87354087

IUPACN-[3-methoxy-2-(4-methylpiperazin-1-yl)-6-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylamino]phenyl]acetamide
SMILESCOc1cc(OC)c(/C=C/S(=O)(=O)Nc2ccc(OC)c(N3CCN(C)CC3)c2NC(C)=O)c(OC)c1
InChIInChI=1S/C25H34N4O7S/c1-17(30)26-24-20(7-8-21(34-4)25(24)29-12-10-28(2)11-13-29)27-37(31,32)14-9-19-22(35-5)15-18(33-3)16-23(19)36-6/h7-9,14-16,27H,10-13H2,1-6H3,(H,26,30)/b14-9+
InChIKeyFEPJMWCOSDCYLP-NTEUORMPSA-N
MW534.64 g/mol
LogP2.84
Rot. Bonds10

About N-[3-methoxy-2-(4-methylpiperazin-1-yl)-6-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylamino]phenyl]acetamide

N-[3-methoxy-2-(4-methylpiperazin-1-yl)-6-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylamino]phenyl]acetamide (PubChem CID 87354087) has the molecular formula C25H34N4O7S and a molecular weight of 534.64 g/mol. Its IUPAC name is N-[3-methoxy-2-(4-methylpiperazin-1-yl)-6-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-methoxy-2-(4-methylpiperazin-1-yl)-6-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylamino]phenyl]acetamide
PubChem CID87354087
Molecular FormulaC25H34N4O7S
Molecular Weight534.64 g/mol
Exact Mass534.21
IUPAC NameN-[3-methoxy-2-(4-methylpiperazin-1-yl)-6-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylamino]phenyl]acetamide
SMILESCOc1cc(OC)c(/C=C/S(=O)(=O)Nc2ccc(OC)c(N3CCN(C)CC3)c2NC(C)=O)c(OC)c1
InChIInChI=1S/C25H34N4O7S/c1-17(30)26-24-20(7-8-21(34-4)25(24)29-12-10-28(2)11-13-29)27-37(31,32)14-9-19-22(35-5)15-18(33-3)16-23(19)36-6/h7-9,14-16,27H,10-13H2,1-6H3,(H,26,30)/b14-9+
InChIKeyFEPJMWCOSDCYLP-NTEUORMPSA-N
XLogP2.84
TPSA118.67 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.64
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-(2-amino-4-methoxyphenyl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide
CID 67317738
3-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylamino]anilino]-3-oxopropanoic acid
CID 10310996
2-chloro-N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylamino]phenyl]acetamide
CID 10151889
[2-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]anilino]-2-oxoethyl] acetate
CID 67319141
[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl] 2-(4-methylpiperazin-1-yl)acetate
CID 11364616
N-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]phenyl]-3,5-dinitrobenzamide
CID 173063036
(E)-2-(4-hydroxy-2,6-dimethoxyphenyl)-N-(4-methoxyphenyl)ethenesulfonamide
CID 71745325
2-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylmethyl]phenyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 173069331
(E)-N-[3-[[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]amino]-4-methoxyphenyl]-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide
CID 126519291
(E)-N-[3-[[(Z)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]amino]-4-methoxyphenyl]-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide
CID 126519478
2-(2-methoxyphenyl)-4-methyl-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylamino]benzenesulfonic acid
CID 87269861
2,2-difluoro-3-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylamino]phenoxy]-3-oxopropanoic acid
CID 67102910

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-2-(4-methylpiperazin-1-yl)-6-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylamino]phenyl]acetamide?
The IUPAC name of N-[3-methoxy-2-(4-methylpiperazin-1-yl)-6-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylamino]phenyl]acetamide (CID 87354087) is N-[3-methoxy-2-(4-methylpiperazin-1-yl)-6-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylamino]phenyl]acetamide.
What is the SMILES notation for N-[3-methoxy-2-(4-methylpiperazin-1-yl)-6-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylamino]phenyl]acetamide?
The canonical SMILES for N-[3-methoxy-2-(4-methylpiperazin-1-yl)-6-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylamino]phenyl]acetamide is COc1cc(OC)c(/C=C/S(=O)(=O)Nc2ccc(OC)c(N3CCN(C)CC3)c2NC(C)=O)c(OC)c1.
What is the InChIKey of N-[3-methoxy-2-(4-methylpiperazin-1-yl)-6-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylamino]phenyl]acetamide?
The InChIKey is FEPJMWCOSDCYLP-NTEUORMPSA-N. The full InChI is InChI=1S/C25H34N4O7S/c1-17(30)26-24-20(7-8-21(34-4)25(24)29-12-10-28(2)11-13-29)27-37(31,32)14-9-19-22(35-5)15-18(33-3)16-23(19)36-6/h7-9,14-16,27H,10-13H2,1-6H3,(H,26,30)/b14-9+.
What are the key properties of N-[3-methoxy-2-(4-methylpiperazin-1-yl)-6-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylamino]phenyl]acetamide?
N-[3-methoxy-2-(4-methylpiperazin-1-yl)-6-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylamino]phenyl]acetamide has a molecular weight of 534.64 g/mol, XLogP of 2.84, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-2-(4-methylpiperazin-1-yl)-6-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylamino]phenyl]acetamide is sourced from PubChem (CID 87354087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).