N-[2,5-diethoxy-4-[(2-nitrophenyl)sulfonylamino]phenyl]benzamide

C23H23N3O7S — CID 19203704

IUPACN-[2,5-diethoxy-4-[(2-nitrophenyl)sulfonylamino]phenyl]benzamide
SMILESCCOc1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c(OCC)cc1NC(=O)c1ccccc1
InChIInChI=1S/C23H23N3O7S/c1-3-32-20-15-18(25-34(30,31)22-13-9-8-12-19(22)26(28)29)21(33-4-2)14-17(20)24-23(27)16-10-6-5-7-11-16/h5-15,25H,3-4H2,1-2H3,(H,24,27)
InChIKeyAULIIBWOYNIMIU-UHFFFAOYSA-N
MW485.52 g/mol
LogP4.45
Rot. Bonds10

About N-[2,5-diethoxy-4-[(2-nitrophenyl)sulfonylamino]phenyl]benzamide

N-[2,5-diethoxy-4-[(2-nitrophenyl)sulfonylamino]phenyl]benzamide (PubChem CID 19203704) has the molecular formula C23H23N3O7S and a molecular weight of 485.52 g/mol. Its IUPAC name is N-[2,5-diethoxy-4-[(2-nitrophenyl)sulfonylamino]phenyl]benzamide.

Molecular Properties

Compound NameN-[2,5-diethoxy-4-[(2-nitrophenyl)sulfonylamino]phenyl]benzamide
PubChem CID19203704
Molecular FormulaC23H23N3O7S
Molecular Weight485.52 g/mol
Exact Mass485.13
IUPAC NameN-[2,5-diethoxy-4-[(2-nitrophenyl)sulfonylamino]phenyl]benzamide
SMILESCCOc1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c(OCC)cc1NC(=O)c1ccccc1
InChIInChI=1S/C23H23N3O7S/c1-3-32-20-15-18(25-34(30,31)22-13-9-8-12-19(22)26(28)29)21(33-4-2)14-17(20)24-23(27)16-10-6-5-7-11-16/h5-15,25H,3-4H2,1-2H3,(H,24,27)
InChIKeyAULIIBWOYNIMIU-UHFFFAOYSA-N
XLogP4.45
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 ≤ 54.45
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-benzamido-2,5-diethoxyphenyl)benzamide
CID 1147279
N-(4-ethoxyphenyl)-2-[(2-nitrophenyl)sulfonylamino]benzamide
CID 26949935
N-[4-(3-aminopropanoylamino)-2,5-diethoxyphenyl]benzamide;hydrochloride
CID 119265923
N-(4-benzamido-2,5-diethoxyphenyl)-2-methylbenzamide
CID 1051986
N-[2,5-diethoxy-4-(pentanoylamino)phenyl]-2-nitrobenzamide
CID 3193321
N-[2,5-diethoxy-4-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 1051988
N'-benzoyl-4-ethoxy-3-nitrobenzohydrazide
CID 9391903
2-nitro-N-(2-nitrophenyl)benzenesulfonamide
CID 2827773
N-(4-benzamido-2,5-diethoxyphenyl)-3-(trifluoromethyl)benzamide
CID 2128081
N-(4-benzamido-2,5-diethoxyphenyl)-4-fluoro-3-(trifluoromethyl)benzamide
CID 60594400
N-(2-ethoxyphenyl)-4-methoxy-3-nitrobenzamide
CID 711588
N-[2-methoxy-5-(trifluoromethyl)phenyl]-2-nitrobenzenesulfonamide
CID 3847210

Frequently Asked Questions

What is the IUPAC name of N-[2,5-diethoxy-4-[(2-nitrophenyl)sulfonylamino]phenyl]benzamide?
The IUPAC name of N-[2,5-diethoxy-4-[(2-nitrophenyl)sulfonylamino]phenyl]benzamide (CID 19203704) is N-[2,5-diethoxy-4-[(2-nitrophenyl)sulfonylamino]phenyl]benzamide.
What is the SMILES notation for N-[2,5-diethoxy-4-[(2-nitrophenyl)sulfonylamino]phenyl]benzamide?
The canonical SMILES for N-[2,5-diethoxy-4-[(2-nitrophenyl)sulfonylamino]phenyl]benzamide is CCOc1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c(OCC)cc1NC(=O)c1ccccc1.
What is the InChIKey of N-[2,5-diethoxy-4-[(2-nitrophenyl)sulfonylamino]phenyl]benzamide?
The InChIKey is AULIIBWOYNIMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O7S/c1-3-32-20-15-18(25-34(30,31)22-13-9-8-12-19(22)26(28)29)21(33-4-2)14-17(20)24-23(27)16-10-6-5-7-11-16/h5-15,25H,3-4H2,1-2H3,(H,24,27).
What are the key properties of N-[2,5-diethoxy-4-[(2-nitrophenyl)sulfonylamino]phenyl]benzamide?
N-[2,5-diethoxy-4-[(2-nitrophenyl)sulfonylamino]phenyl]benzamide has a molecular weight of 485.52 g/mol, XLogP of 4.45, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-diethoxy-4-[(2-nitrophenyl)sulfonylamino]phenyl]benzamide is sourced from PubChem (CID 19203704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).