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

C19H18N4O7S — CID 2072642

IUPAC2-(3-methyl-4-nitrophenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc([N+](=O)[O-])c(C)c3)cc2)no1
InChIInChI=1S/C19H18N4O7S/c1-12-9-15(5-8-17(12)23(25)26)29-11-19(24)20-14-3-6-16(7-4-14)31(27,28)22-18-10-13(2)30-21-18/h3-10H,11H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyORKOSALHKOKYDC-UHFFFAOYSA-N
MW446.44 g/mol
LogP3.02
Rot. Bonds8

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

2-(3-methyl-4-nitrophenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide (PubChem CID 2072642) has the molecular formula C19H18N4O7S and a molecular weight of 446.44 g/mol. Its IUPAC name is 2-(3-methyl-4-nitrophenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(3-methyl-4-nitrophenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide
PubChem CID2072642
Molecular FormulaC19H18N4O7S
Molecular Weight446.44 g/mol
Exact Mass446.09
IUPAC Name2-(3-methyl-4-nitrophenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc([N+](=O)[O-])c(C)c3)cc2)no1
InChIInChI=1S/C19H18N4O7S/c1-12-9-15(5-8-17(12)23(25)26)29-11-19(24)20-14-3-6-16(7-4-14)31(27,28)22-18-10-13(2)30-21-18/h3-10H,11H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyORKOSALHKOKYDC-UHFFFAOYSA-N
XLogP3.02
TPSA153.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.44
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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

2-(4-bromo-3-methylphenoxy)-N-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamothioyl]acetamide
CID 3383244
2-(3-methyl-4-nitrophenoxy)-N-(4-propan-2-yloxyphenyl)acetamide
CID 1406826
2-(3-methyl-4-nitrophenoxy)-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 31880567
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]butanamide
CID 697515
3-(2,5-dimethylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide
CID 2431427
2-(2-butan-2-ylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide
CID 2950699
2-(3,4-dimethylphenoxy)-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]acetamide
CID 1039155
2-(4-chloro-3-methylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 1183039
2-(4-bromo-3-methylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 19176553
2-(4-chloro-3-methylphenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 3543968
2-methylpropyl 4-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]benzoate
CID 1406833
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]decanamide
CID 19578382

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-nitrophenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-(3-methyl-4-nitrophenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide (CID 2072642) is 2-(3-methyl-4-nitrophenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-(3-methyl-4-nitrophenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-(3-methyl-4-nitrophenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide is Cc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc([N+](=O)[O-])c(C)c3)cc2)no1.
What is the InChIKey of 2-(3-methyl-4-nitrophenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is ORKOSALHKOKYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O7S/c1-12-9-15(5-8-17(12)23(25)26)29-11-19(24)20-14-3-6-16(7-4-14)31(27,28)22-18-10-13(2)30-21-18/h3-10H,11H2,1-2H3,(H,20,24)(H,21,22).
What are the key properties of 2-(3-methyl-4-nitrophenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide?
2-(3-methyl-4-nitrophenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 446.44 g/mol, XLogP of 3.02, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-nitrophenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 2072642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).