4-ethoxy-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]benzamide

C17H19N3O6S — CID 108572022

IUPAC4-ethoxy-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]benzamide
SMILESCCOc1ccc(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C17H19N3O6S/c1-2-26-15-7-3-13(4-8-15)17(21)18-11-12-19-27(24,25)16-9-5-14(6-10-16)20(22)23/h3-10,19H,2,11-12H2,1H3,(H,18,21)
InChIKeySYQPOCHTPZVZIS-UHFFFAOYSA-N
MW393.42 g/mol
LogP1.70
Rot. Bonds9

About 4-ethoxy-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]benzamide

4-ethoxy-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]benzamide (PubChem CID 108572022) has the molecular formula C17H19N3O6S and a molecular weight of 393.42 g/mol. Its IUPAC name is 4-ethoxy-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]benzamide
PubChem CID108572022
Molecular FormulaC17H19N3O6S
Molecular Weight393.42 g/mol
Exact Mass393.10
IUPAC Name4-ethoxy-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]benzamide
SMILESCCOc1ccc(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C17H19N3O6S/c1-2-26-15-7-3-13(4-8-15)17(21)18-11-12-19-27(24,25)16-9-5-14(6-10-16)20(22)23/h3-10,19H,2,11-12H2,1H3,(H,18,21)
InChIKeySYQPOCHTPZVZIS-UHFFFAOYSA-N
XLogP1.70
TPSA127.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-ethoxy-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]benzamide 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

4-chloro-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]benzamide
CID 31829485
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-nitrobenzamide
CID 3950835
4-ethoxy-N-[2-(methanesulfonamido)ethyl]benzamide
CID 108572051
N-[2-(methanesulfonamido)ethyl]-4-nitrobenzamide
CID 40718557
3-methyl-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]benzamide
CID 108573729
4-nitro-N-[2-(propanoylamino)ethyl]benzamide
CID 4153316
N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]furan-2-carboxamide
CID 31819893
[4-(butylsulfamoyl)phenyl] 4-nitrobenzoate
CID 139645110
4-ethoxy-N-[2-[(4-nitrophenyl)methylamino]-2-oxoethyl]benzamide
CID 60552577
N-(2-ethylsulfonylethyl)-4-nitrobenzamide
CID 51108652
4-ethoxy-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 62657994
4-methylsulfonyl-N-[2-[(3-nitrophenyl)sulfonylamino]ethyl]benzamide
CID 55542230

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]benzamide?
The IUPAC name of 4-ethoxy-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]benzamide (CID 108572022) is 4-ethoxy-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]benzamide?
The canonical SMILES for 4-ethoxy-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]benzamide is CCOc1ccc(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 4-ethoxy-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]benzamide?
The InChIKey is SYQPOCHTPZVZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O6S/c1-2-26-15-7-3-13(4-8-15)17(21)18-11-12-19-27(24,25)16-9-5-14(6-10-16)20(22)23/h3-10,19H,2,11-12H2,1H3,(H,18,21).
What are the key properties of 4-ethoxy-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]benzamide?
4-ethoxy-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]benzamide has a molecular weight of 393.42 g/mol, XLogP of 1.70, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]benzamide is sourced from PubChem (CID 108572022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).