N-[2-(benzylsulfamoyl)ethyl]-5-ethoxy-4-methoxy-2-nitrobenzamide

C19H23N3O7S — CID 55795890

IUPACN-[2-(benzylsulfamoyl)ethyl]-5-ethoxy-4-methoxy-2-nitrobenzamide
SMILESCCOc1cc(C(=O)NCCS(=O)(=O)NCc2ccccc2)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C19H23N3O7S/c1-3-29-18-11-15(16(22(24)25)12-17(18)28-2)19(23)20-9-10-30(26,27)21-13-14-7-5-4-6-8-14/h4-8,11-12,21H,3,9-10,13H2,1-2H3,(H,20,23)
InChIKeyRDNIXEINTGXFID-UHFFFAOYSA-N
MW437.47 g/mol
LogP1.85
Rot. Bonds11

About N-[2-(benzylsulfamoyl)ethyl]-5-ethoxy-4-methoxy-2-nitrobenzamide

N-[2-(benzylsulfamoyl)ethyl]-5-ethoxy-4-methoxy-2-nitrobenzamide (PubChem CID 55795890) has the molecular formula C19H23N3O7S and a molecular weight of 437.47 g/mol. Its IUPAC name is N-[2-(benzylsulfamoyl)ethyl]-5-ethoxy-4-methoxy-2-nitrobenzamide.

Molecular Properties

Compound NameN-[2-(benzylsulfamoyl)ethyl]-5-ethoxy-4-methoxy-2-nitrobenzamide
PubChem CID55795890
Molecular FormulaC19H23N3O7S
Molecular Weight437.47 g/mol
Exact Mass437.13
IUPAC NameN-[2-(benzylsulfamoyl)ethyl]-5-ethoxy-4-methoxy-2-nitrobenzamide
SMILESCCOc1cc(C(=O)NCCS(=O)(=O)NCc2ccccc2)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C19H23N3O7S/c1-3-29-18-11-15(16(22(24)25)12-17(18)28-2)19(23)20-9-10-30(26,27)21-13-14-7-5-4-6-8-14/h4-8,11-12,21H,3,9-10,13H2,1-2H3,(H,20,23)
InChIKeyRDNIXEINTGXFID-UHFFFAOYSA-N
XLogP1.85
TPSA136.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.47
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[3-(4-benzylpiperazin-1-yl)propyl]-4-ethoxy-5-methoxy-2-nitrobenzamide
CID 55633974
N-benzyl-5-methoxy-2-nitro-4-phenylmethoxybenzamide
CID 139213694
4-ethoxy-5-methoxy-2-nitro-N-[2-(4-phenylmethoxyphenyl)ethyl]benzamide
CID 55749777
5-ethoxy-N-[(3-ethoxyphenyl)methyl]-4-methoxy-2-nitrobenzamide
CID 55745361
N-butyl-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 36711005
N-[(3-chlorophenyl)methyl]-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 9402079
4-ethoxy-N-[2-(ethylamino)ethyl]-5-methoxy-2-nitrobenzamide
CID 119506030
4-ethoxy-5-methoxy-2-nitro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 55638800
4-ethoxy-5-methoxy-N-[2-(4-methoxyphenyl)ethyl]-2-nitrobenzamide
CID 26644252
4-ethoxy-5-methoxy-2-nitro-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 30885156
5-ethoxy-4-methoxy-2-nitro-N-(2-pyridin-2-ylethyl)benzamide
CID 24540627
N-(3-aminopropyl)-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 119405488

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylsulfamoyl)ethyl]-5-ethoxy-4-methoxy-2-nitrobenzamide?
The IUPAC name of N-[2-(benzylsulfamoyl)ethyl]-5-ethoxy-4-methoxy-2-nitrobenzamide (CID 55795890) is N-[2-(benzylsulfamoyl)ethyl]-5-ethoxy-4-methoxy-2-nitrobenzamide.
What is the SMILES notation for N-[2-(benzylsulfamoyl)ethyl]-5-ethoxy-4-methoxy-2-nitrobenzamide?
The canonical SMILES for N-[2-(benzylsulfamoyl)ethyl]-5-ethoxy-4-methoxy-2-nitrobenzamide is CCOc1cc(C(=O)NCCS(=O)(=O)NCc2ccccc2)c([N+](=O)[O-])cc1OC.
What is the InChIKey of N-[2-(benzylsulfamoyl)ethyl]-5-ethoxy-4-methoxy-2-nitrobenzamide?
The InChIKey is RDNIXEINTGXFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O7S/c1-3-29-18-11-15(16(22(24)25)12-17(18)28-2)19(23)20-9-10-30(26,27)21-13-14-7-5-4-6-8-14/h4-8,11-12,21H,3,9-10,13H2,1-2H3,(H,20,23).
What are the key properties of N-[2-(benzylsulfamoyl)ethyl]-5-ethoxy-4-methoxy-2-nitrobenzamide?
N-[2-(benzylsulfamoyl)ethyl]-5-ethoxy-4-methoxy-2-nitrobenzamide has a molecular weight of 437.47 g/mol, XLogP of 1.85, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylsulfamoyl)ethyl]-5-ethoxy-4-methoxy-2-nitrobenzamide is sourced from PubChem (CID 55795890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).