N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-[(3-nitrophenyl)sulfonylamino]benzamide

C19H19N5O6S — CID 56509825

IUPACN-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-[(3-nitrophenyl)sulfonylamino]benzamide
SMILESCCc1noc(CN(C)C(=O)c2ccccc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)n1
InChIInChI=1S/C19H19N5O6S/c1-3-17-20-18(30-21-17)12-23(2)19(25)15-9-4-5-10-16(15)22-31(28,29)14-8-6-7-13(11-14)24(26)27/h4-11,22H,3,12H2,1-2H3
InChIKeyJVDXGOGUBJFPSC-UHFFFAOYSA-N
MW445.46 g/mol
LogP2.61
Rot. Bonds8

About N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-[(3-nitrophenyl)sulfonylamino]benzamide

N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-[(3-nitrophenyl)sulfonylamino]benzamide (PubChem CID 56509825) has the molecular formula C19H19N5O6S and a molecular weight of 445.46 g/mol. Its IUPAC name is N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-[(3-nitrophenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-[(3-nitrophenyl)sulfonylamino]benzamide
PubChem CID56509825
Molecular FormulaC19H19N5O6S
Molecular Weight445.46 g/mol
Exact Mass445.11
IUPAC NameN-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-[(3-nitrophenyl)sulfonylamino]benzamide
SMILESCCc1noc(CN(C)C(=O)c2ccccc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)n1
InChIInChI=1S/C19H19N5O6S/c1-3-17-20-18(30-21-17)12-23(2)19(25)15-9-4-5-10-16(15)22-31(28,29)14-8-6-7-13(11-14)24(26)27/h4-11,22H,3,12H2,1-2H3
InChIKeyJVDXGOGUBJFPSC-UHFFFAOYSA-N
XLogP2.61
TPSA148.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.46
LogP ≤ 52.61
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

2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylbenzamide
CID 56509826
2-[(3-nitrophenyl)sulfonylamino]-N-propylbenzamide
CID 2966829
N,N-bis(2-methoxyethyl)-2-[(3-nitrophenyl)sulfonylamino]benzamide
CID 55531044
5-[(4-butylphenyl)sulfamoyl]-2-chloro-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylbenzamide
CID 56521290
(4,6-diamino-1,3,5-triazin-2-yl)methyl 2-[(3-nitrophenyl)sulfonylamino]benzoate
CID 55443815
[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl] 2-[(3-nitrophenyl)sulfonylamino]benzoate
CID 34137926
N-methyl-N-[(2-methylphenyl)methyl]-4-[(3-nitrophenyl)sulfonylamino]benzamide
CID 26558363
N-[2-[[(2-fluorobenzoyl)amino]carbamoyl]phenyl]-3-nitrobenzenesulfonamide
CID 55362792
2-[(3-nitrophenyl)sulfonylamino]-N-(1-phenylethyl)benzamide
CID 2968335
(4-nitrophenyl)methyl 2-[(3-nitrophenyl)sulfonylamino]benzoate
CID 16595511
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-3-nitrobenzamide
CID 99995009
N-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]ethyl]-3-nitrobenzenesulfonamide
CID 120868800

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-[(3-nitrophenyl)sulfonylamino]benzamide?
The IUPAC name of N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-[(3-nitrophenyl)sulfonylamino]benzamide (CID 56509825) is N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-[(3-nitrophenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-[(3-nitrophenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-[(3-nitrophenyl)sulfonylamino]benzamide is CCc1noc(CN(C)C(=O)c2ccccc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)n1.
What is the InChIKey of N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-[(3-nitrophenyl)sulfonylamino]benzamide?
The InChIKey is JVDXGOGUBJFPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O6S/c1-3-17-20-18(30-21-17)12-23(2)19(25)15-9-4-5-10-16(15)22-31(28,29)14-8-6-7-13(11-14)24(26)27/h4-11,22H,3,12H2,1-2H3.
What are the key properties of N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-[(3-nitrophenyl)sulfonylamino]benzamide?
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-[(3-nitrophenyl)sulfonylamino]benzamide has a molecular weight of 445.46 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-[(3-nitrophenyl)sulfonylamino]benzamide is sourced from PubChem (CID 56509825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).