N-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]phenyl]-3,5-dinitrobenzamide

C25H24N4O11S — CID 173063036

IUPACN-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]phenyl]-3,5-dinitrobenzamide
SMILESCOc1cc(OC)c(C=CS(=O)(=O)Nc2ccc(OC)c(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c2)c(OC)c1
InChIInChI=1S/C25H24N4O11S/c1-37-19-13-23(39-3)20(24(14-19)40-4)7-8-41(35,36)27-16-5-6-22(38-2)21(11-16)26-25(30)15-9-17(28(31)32)12-18(10-15)29(33)34/h5-14,27H,1-4H3,(H,26,30)
InChIKeyVRMJAPFISJGLRZ-UHFFFAOYSA-N
MW588.55 g/mol
LogP4.20
Rot. Bonds12

About N-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]phenyl]-3,5-dinitrobenzamide

N-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]phenyl]-3,5-dinitrobenzamide (PubChem CID 173063036) has the molecular formula C25H24N4O11S and a molecular weight of 588.55 g/mol. Its IUPAC name is N-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]phenyl]-3,5-dinitrobenzamide.

Molecular Properties

Compound NameN-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]phenyl]-3,5-dinitrobenzamide
PubChem CID173063036
Molecular FormulaC25H24N4O11S
Molecular Weight588.55 g/mol
Exact Mass588.12
IUPAC NameN-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]phenyl]-3,5-dinitrobenzamide
SMILESCOc1cc(OC)c(C=CS(=O)(=O)Nc2ccc(OC)c(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c2)c(OC)c1
InChIInChI=1S/C25H24N4O11S/c1-37-19-13-23(39-3)20(24(14-19)40-4)7-8-41(35,36)27-16-5-6-22(38-2)21(11-16)26-25(30)15-9-17(28(31)32)12-18(10-15)29(33)34/h5-14,27H,1-4H3,(H,26,30)
InChIKeyVRMJAPFISJGLRZ-UHFFFAOYSA-N
XLogP4.20
TPSA198.47 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.55
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]phenyl]-3,5-dinitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylamino]phenyl]acetamide
CID 10151889
1-N,3-N-bis(2,5-dimethoxyphenyl)-5-nitrobenzene-1,3-dicarboxamide
CID 1116125
[2-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]anilino]-2-oxoethyl] acetate
CID 67319141
2-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]anilino]acetic acid
CID 66810663
(E)-N-[3-[[(Z)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]amino]-4-methoxyphenyl]-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide
CID 126519478
(E)-N-[3-[[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]amino]-4-methoxyphenyl]-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide
CID 126519291
3,5-diamino-N-[2-methoxy-5-[3-(2,4,6-trimethoxyphenyl)prop-2-enoylamino]phenyl]benzamide
CID 68955710
4-methoxy-N-(2-methoxy-5-nitrophenyl)benzamide
CID 871212
[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylamino]phenyl] 2,2,2-trifluoroacetate
CID 67102628
methyl 3-[[5-(dimethylsulfamoyl)-2-methoxyphenyl]carbamoyl]-5-nitrobenzoate
CID 18209003
ethyl (E)-4-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylamino]anilino]but-2-enoate;molecular hydrogen
CID 145244680
N-(3-bromo-4-methoxyphenyl)-3,5-dinitrobenzamide
CID 3548718

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]phenyl]-3,5-dinitrobenzamide?
The IUPAC name of N-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]phenyl]-3,5-dinitrobenzamide (CID 173063036) is N-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]phenyl]-3,5-dinitrobenzamide.
What is the SMILES notation for N-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]phenyl]-3,5-dinitrobenzamide?
The canonical SMILES for N-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]phenyl]-3,5-dinitrobenzamide is COc1cc(OC)c(C=CS(=O)(=O)Nc2ccc(OC)c(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c2)c(OC)c1.
What is the InChIKey of N-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]phenyl]-3,5-dinitrobenzamide?
The InChIKey is VRMJAPFISJGLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O11S/c1-37-19-13-23(39-3)20(24(14-19)40-4)7-8-41(35,36)27-16-5-6-22(38-2)21(11-16)26-25(30)15-9-17(28(31)32)12-18(10-15)29(33)34/h5-14,27H,1-4H3,(H,26,30).
What are the key properties of N-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]phenyl]-3,5-dinitrobenzamide?
N-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]phenyl]-3,5-dinitrobenzamide has a molecular weight of 588.55 g/mol, XLogP of 4.20, 12 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]phenyl]-3,5-dinitrobenzamide is sourced from PubChem (CID 173063036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).