N-methyl-4-[(3-nitrophenyl)sulfonylamino]-N-[(2,3,4-trimethoxyphenyl)methyl]benzamide

C24H25N3O8S — CID 4854406

IUPACN-methyl-4-[(3-nitrophenyl)sulfonylamino]-N-[(2,3,4-trimethoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CN(C)C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)c(OC)c1OC
InChIInChI=1S/C24H25N3O8S/c1-26(15-17-10-13-21(33-2)23(35-4)22(17)34-3)24(28)16-8-11-18(12-9-16)25-36(31,32)20-7-5-6-19(14-20)27(29)30/h5-14,25H,15H2,1-4H3
InChIKeyMKNOBVARGQYENE-UHFFFAOYSA-N
MW515.54 g/mol
LogP3.69
Rot. Bonds10

About N-methyl-4-[(3-nitrophenyl)sulfonylamino]-N-[(2,3,4-trimethoxyphenyl)methyl]benzamide

N-methyl-4-[(3-nitrophenyl)sulfonylamino]-N-[(2,3,4-trimethoxyphenyl)methyl]benzamide (PubChem CID 4854406) has the molecular formula C24H25N3O8S and a molecular weight of 515.54 g/mol. Its IUPAC name is N-methyl-4-[(3-nitrophenyl)sulfonylamino]-N-[(2,3,4-trimethoxyphenyl)methyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[(3-nitrophenyl)sulfonylamino]-N-[(2,3,4-trimethoxyphenyl)methyl]benzamide
PubChem CID4854406
Molecular FormulaC24H25N3O8S
Molecular Weight515.54 g/mol
Exact Mass515.14
IUPAC NameN-methyl-4-[(3-nitrophenyl)sulfonylamino]-N-[(2,3,4-trimethoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CN(C)C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)c(OC)c1OC
InChIInChI=1S/C24H25N3O8S/c1-26(15-17-10-13-21(33-2)23(35-4)22(17)34-3)24(28)16-8-11-18(12-9-16)25-36(31,32)20-7-5-6-19(14-20)27(29)30/h5-14,25H,15H2,1-4H3
InChIKeyMKNOBVARGQYENE-UHFFFAOYSA-N
XLogP3.69
TPSA137.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.54
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-4-[(4-methyl-3-nitrophenyl)sulfonylamino]-N-[(2,3,4-trimethoxyphenyl)methyl]benzamide
CID 24980139
N-[(2,4-dimethylphenyl)methyl]-N-methyl-4-[(3-nitrophenyl)sulfonylamino]benzamide
CID 27886844
N-methyl-N-[(2-methylphenyl)methyl]-4-[(3-nitrophenyl)sulfonylamino]benzamide
CID 26558363
N-[(3-fluoro-4-methoxyphenyl)methyl]-4-[(4-hydroxy-3-nitrophenyl)sulfonylamino]-N-methylbenzamide
CID 16961078
N-[(2,3-dimethoxyphenyl)methyl]-4-[(2,5-dimethylphenyl)sulfonylamino]-N-methylbenzamide
CID 27786521
4-[(3-nitrophenyl)sulfonylamino]-N-propylbenzamide
CID 18104911
N,4-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]benzamide
CID 17399115
[4-[(2,4-difluorophenyl)methyl-methylcarbamoyl]phenyl] 3-nitrobenzenesulfonate
CID 38221906
3-[(2-methoxy-5-nitrophenyl)sulfamoyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 4965232
N-[(2,4-dimethoxyphenyl)methyl]-4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-methylbenzamide
CID 27774705
methyl 3,4,5-trimethoxy-2-[(3-nitrophenyl)sulfonylamino]benzoate
CID 2961091
4-[(3-nitrophenyl)sulfonylamino]-N-(2-phenylethyl)benzamide
CID 18108738

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(3-nitrophenyl)sulfonylamino]-N-[(2,3,4-trimethoxyphenyl)methyl]benzamide?
The IUPAC name of N-methyl-4-[(3-nitrophenyl)sulfonylamino]-N-[(2,3,4-trimethoxyphenyl)methyl]benzamide (CID 4854406) is N-methyl-4-[(3-nitrophenyl)sulfonylamino]-N-[(2,3,4-trimethoxyphenyl)methyl]benzamide.
What is the SMILES notation for N-methyl-4-[(3-nitrophenyl)sulfonylamino]-N-[(2,3,4-trimethoxyphenyl)methyl]benzamide?
The canonical SMILES for N-methyl-4-[(3-nitrophenyl)sulfonylamino]-N-[(2,3,4-trimethoxyphenyl)methyl]benzamide is COc1ccc(CN(C)C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)c(OC)c1OC.
What is the InChIKey of N-methyl-4-[(3-nitrophenyl)sulfonylamino]-N-[(2,3,4-trimethoxyphenyl)methyl]benzamide?
The InChIKey is MKNOBVARGQYENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O8S/c1-26(15-17-10-13-21(33-2)23(35-4)22(17)34-3)24(28)16-8-11-18(12-9-16)25-36(31,32)20-7-5-6-19(14-20)27(29)30/h5-14,25H,15H2,1-4H3.
What are the key properties of N-methyl-4-[(3-nitrophenyl)sulfonylamino]-N-[(2,3,4-trimethoxyphenyl)methyl]benzamide?
N-methyl-4-[(3-nitrophenyl)sulfonylamino]-N-[(2,3,4-trimethoxyphenyl)methyl]benzamide has a molecular weight of 515.54 g/mol, XLogP of 3.69, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(3-nitrophenyl)sulfonylamino]-N-[(2,3,4-trimethoxyphenyl)methyl]benzamide is sourced from PubChem (CID 4854406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).