N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(4-nitrophenyl)acetamide

C18H16N4O6S — CID 2166679

IUPACN-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(4-nitrophenyl)acetamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)cc2)no1
InChIInChI=1S/C18H16N4O6S/c1-12-10-17(20-28-12)21-29(26,27)16-8-4-14(5-9-16)19-18(23)11-13-2-6-15(7-3-13)22(24)25/h2-10H,11H2,1H3,(H,19,23)(H,20,21)
InChIKeyHCWHPVDEGPNBHG-UHFFFAOYSA-N
MW416.42 g/mol
LogP2.87
Rot. Bonds7

About N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(4-nitrophenyl)acetamide

N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(4-nitrophenyl)acetamide (PubChem CID 2166679) has the molecular formula C18H16N4O6S and a molecular weight of 416.42 g/mol. Its IUPAC name is N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(4-nitrophenyl)acetamide
PubChem CID2166679
Molecular FormulaC18H16N4O6S
Molecular Weight416.42 g/mol
Exact Mass416.08
IUPAC NameN-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(4-nitrophenyl)acetamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)cc2)no1
InChIInChI=1S/C18H16N4O6S/c1-12-10-17(20-28-12)21-29(26,27)16-8-4-14(5-9-16)19-18(23)11-13-2-6-15(7-3-13)22(24)25/h2-10H,11H2,1H3,(H,19,23)(H,20,21)
InChIKeyHCWHPVDEGPNBHG-UHFFFAOYSA-N
XLogP2.87
TPSA144.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.42
LogP ≤ 52.87
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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Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(4-nitrophenyl)acetamide?
The IUPAC name of N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(4-nitrophenyl)acetamide (CID 2166679) is N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(4-nitrophenyl)acetamide is Cc1cc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)cc2)no1.
What is the InChIKey of N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(4-nitrophenyl)acetamide?
The InChIKey is HCWHPVDEGPNBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O6S/c1-12-10-17(20-28-12)21-29(26,27)16-8-4-14(5-9-16)19-18(23)11-13-2-6-15(7-3-13)22(24)25/h2-10H,11H2,1H3,(H,19,23)(H,20,21).
What are the key properties of N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(4-nitrophenyl)acetamide?
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(4-nitrophenyl)acetamide has a molecular weight of 416.42 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 2166679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).