N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-2-(2-nitrophenoxy)propanamide

C20H19N5O7S — CID 54782638

IUPACN-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-2-(2-nitrophenoxy)propanamide
SMILESCOc1nccnc1NS(=O)(=O)c1ccc(NC(=O)C(C)Oc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C20H19N5O7S/c1-13(32-17-6-4-3-5-16(17)25(27)28)19(26)23-14-7-9-15(10-8-14)33(29,30)24-18-20(31-2)22-12-11-21-18/h3-13H,1-2H3,(H,21,24)(H,23,26)
InChIKeyGDZZECCWZBFGSU-UHFFFAOYSA-N
MW473.47 g/mol
LogP2.60
Rot. Bonds9

About N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-2-(2-nitrophenoxy)propanamide

N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-2-(2-nitrophenoxy)propanamide (PubChem CID 54782638) has the molecular formula C20H19N5O7S and a molecular weight of 473.47 g/mol. Its IUPAC name is N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-2-(2-nitrophenoxy)propanamide.

Molecular Properties

Compound NameN-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-2-(2-nitrophenoxy)propanamide
PubChem CID54782638
Molecular FormulaC20H19N5O7S
Molecular Weight473.47 g/mol
Exact Mass473.10
IUPAC NameN-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-2-(2-nitrophenoxy)propanamide
SMILESCOc1nccnc1NS(=O)(=O)c1ccc(NC(=O)C(C)Oc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C20H19N5O7S/c1-13(32-17-6-4-3-5-16(17)25(27)28)19(26)23-14-7-9-15(10-8-14)33(29,30)24-18-20(31-2)22-12-11-21-18/h3-13H,1-2H3,(H,21,24)(H,23,26)
InChIKeyGDZZECCWZBFGSU-UHFFFAOYSA-N
XLogP2.60
TPSA162.65 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.47
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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-(4-ethylphenoxy)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]propanamide
CID 54782995
N-(4-acetamidophenyl)-2-(2-nitrophenoxy)propanamide
CID 4810380
N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide
CID 54782642
(2R)-N-(4-methylphenyl)-2-(2-nitrophenoxy)propanamide
CID 7503574
(2R)-N-(4-fluorophenyl)-2-(2-nitrophenoxy)propanamide
CID 7503743
2-methoxy-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]benzamide
CID 3563880
2-(2-nitrophenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 4943654
N-(4-chlorophenyl)-2-(2-nitrophenoxy)propanamide
CID 4943658
(2R)-N-(4-iodophenyl)-2-(2-nitrophenoxy)propanamide
CID 9205324
N-[[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]carbamothioyl]-2-methylpropanamide
CID 54783157
N-[4-[2-(2-nitrophenoxy)propanoylamino]phenyl]benzamide
CID 17235413
N-(3-methoxypyrazin-2-yl)-4-nitrobenzenesulfonamide
CID 101043457

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-2-(2-nitrophenoxy)propanamide?
The IUPAC name of N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-2-(2-nitrophenoxy)propanamide (CID 54782638) is N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-2-(2-nitrophenoxy)propanamide.
What is the SMILES notation for N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-2-(2-nitrophenoxy)propanamide?
The canonical SMILES for N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-2-(2-nitrophenoxy)propanamide is COc1nccnc1NS(=O)(=O)c1ccc(NC(=O)C(C)Oc2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-2-(2-nitrophenoxy)propanamide?
The InChIKey is GDZZECCWZBFGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O7S/c1-13(32-17-6-4-3-5-16(17)25(27)28)19(26)23-14-7-9-15(10-8-14)33(29,30)24-18-20(31-2)22-12-11-21-18/h3-13H,1-2H3,(H,21,24)(H,23,26).
What are the key properties of N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-2-(2-nitrophenoxy)propanamide?
N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-2-(2-nitrophenoxy)propanamide has a molecular weight of 473.47 g/mol, XLogP of 2.60, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-2-(2-nitrophenoxy)propanamide is sourced from PubChem (CID 54782638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).