N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-2-(2-nitrophenyl)acetamide

C23H23N3O7S — CID 35745392

IUPACN-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-2-(2-nitrophenyl)acetamide
SMILESCCOc1ccc(NS(=O)(=O)c2cc(NC(=O)Cc3ccccc3[N+](=O)[O-])ccc2OC)cc1
InChIInChI=1S/C23H23N3O7S/c1-3-33-19-11-8-17(9-12-19)25-34(30,31)22-15-18(10-13-21(22)32-2)24-23(27)14-16-6-4-5-7-20(16)26(28)29/h4-13,15,25H,3,14H2,1-2H3,(H,24,27)
InChIKeyCQXMHHOVRCIDOB-UHFFFAOYSA-N
MW485.52 g/mol
LogP3.98
Rot. Bonds10

About N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-2-(2-nitrophenyl)acetamide

N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-2-(2-nitrophenyl)acetamide (PubChem CID 35745392) has the molecular formula C23H23N3O7S and a molecular weight of 485.52 g/mol. Its IUPAC name is N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-2-(2-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-2-(2-nitrophenyl)acetamide
PubChem CID35745392
Molecular FormulaC23H23N3O7S
Molecular Weight485.52 g/mol
Exact Mass485.13
IUPAC NameN-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-2-(2-nitrophenyl)acetamide
SMILESCCOc1ccc(NS(=O)(=O)c2cc(NC(=O)Cc3ccccc3[N+](=O)[O-])ccc2OC)cc1
InChIInChI=1S/C23H23N3O7S/c1-3-33-19-11-8-17(9-12-19)25-34(30,31)22-15-18(10-13-21(22)32-2)24-23(27)14-16-6-4-5-7-20(16)26(28)29/h4-13,15,25H,3,14H2,1-2H3,(H,24,27)
InChIKeyCQXMHHOVRCIDOB-UHFFFAOYSA-N
XLogP3.98
TPSA136.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.52
LogP ≤ 53.98
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-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-quinolin-8-ylacetamide
CID 46571780
4-(4-ethoxyphenyl)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-oxobutanamide
CID 4851333
N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 3484295
3-(2,6-difluorophenyl)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]propanamide
CID 55651750
N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-2-methyl-3-nitrobenzamide
CID 26852102
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-(2-nitrophenoxy)acetamide
CID 4931088
tert-butyl N-[3-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyanilino]-3-oxopropyl]carbamate
CID 26259494
N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-fluorophenyl)propanamide
CID 30707064
[2-(4-ethoxyanilino)-2-oxoethyl] 2-(2-nitrophenyl)acetate
CID 7833036
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-nitrobenzamide
CID 1324756
N-(4-ethoxyphenyl)-2-[(2-nitrophenyl)sulfonylamino]benzamide
CID 26949935
2-(2-fluorophenoxy)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 3279228

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-2-(2-nitrophenyl)acetamide?
The IUPAC name of N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-2-(2-nitrophenyl)acetamide (CID 35745392) is N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-2-(2-nitrophenyl)acetamide.
What is the SMILES notation for N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-2-(2-nitrophenyl)acetamide?
The canonical SMILES for N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-2-(2-nitrophenyl)acetamide is CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)Cc3ccccc3[N+](=O)[O-])ccc2OC)cc1.
What is the InChIKey of N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-2-(2-nitrophenyl)acetamide?
The InChIKey is CQXMHHOVRCIDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O7S/c1-3-33-19-11-8-17(9-12-19)25-34(30,31)22-15-18(10-13-21(22)32-2)24-23(27)14-16-6-4-5-7-20(16)26(28)29/h4-13,15,25H,3,14H2,1-2H3,(H,24,27).
What are the key properties of N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-2-(2-nitrophenyl)acetamide?
N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-2-(2-nitrophenyl)acetamide has a molecular weight of 485.52 g/mol, XLogP of 3.98, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-2-(2-nitrophenyl)acetamide is sourced from PubChem (CID 35745392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).