2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-(3-nitrophenyl)acetamide

C19H23N3O6S — CID 1254790

IUPAC2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-(3-nitrophenyl)acetamide
SMILESCc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C19H23N3O6S/c1-13(2)11-20-29(26,27)17-7-8-18(14(3)9-17)28-12-19(23)21-15-5-4-6-16(10-15)22(24)25/h4-10,13,20H,11-12H2,1-3H3,(H,21,23)
InChIKeyJIWQKLHTQAFVBI-UHFFFAOYSA-N
MW421.48 g/mol
LogP2.86
Rot. Bonds9

About 2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-(3-nitrophenyl)acetamide

2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-(3-nitrophenyl)acetamide (PubChem CID 1254790) has the molecular formula C19H23N3O6S and a molecular weight of 421.48 g/mol. Its IUPAC name is 2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-(3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-(3-nitrophenyl)acetamide
PubChem CID1254790
Molecular FormulaC19H23N3O6S
Molecular Weight421.48 g/mol
Exact Mass421.13
IUPAC Name2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-(3-nitrophenyl)acetamide
SMILESCc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C19H23N3O6S/c1-13(2)11-20-29(26,27)17-7-8-18(14(3)9-17)28-12-19(23)21-15-5-4-6-16(10-15)22(24)25/h4-10,13,20H,11-12H2,1-3H3,(H,21,23)
InChIKeyJIWQKLHTQAFVBI-UHFFFAOYSA-N
XLogP2.86
TPSA127.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-(4-sulfamoylphenyl)acetamide
CID 3619640
N-(2,6-dichlorophenyl)-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide
CID 5001110
2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-(2-methylphenyl)acetamide
CID 1266199
N-(3-chloro-4-methoxyphenyl)-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide
CID 1243560
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide
CID 28554818
2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-(3-chlorophenyl)acetamide
CID 126263338
3-[[2-(2-methyl-4-nitrophenoxy)acetyl]amino]benzoic acid
CID 53264010
2-(2-methyl-4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 19237183
2-(2-methyl-4-nitrophenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1406683
N-(2-methoxyethyl)-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide
CID 126385177
2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 43906385
2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 99968022

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-(3-nitrophenyl)acetamide?
The IUPAC name of 2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-(3-nitrophenyl)acetamide (CID 1254790) is 2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-(3-nitrophenyl)acetamide.
What is the SMILES notation for 2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-(3-nitrophenyl)acetamide?
The canonical SMILES for 2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-(3-nitrophenyl)acetamide is Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-(3-nitrophenyl)acetamide?
The InChIKey is JIWQKLHTQAFVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O6S/c1-13(2)11-20-29(26,27)17-7-8-18(14(3)9-17)28-12-19(23)21-15-5-4-6-16(10-15)22(24)25/h4-10,13,20H,11-12H2,1-3H3,(H,21,23).
What are the key properties of 2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-(3-nitrophenyl)acetamide?
2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-(3-nitrophenyl)acetamide has a molecular weight of 421.48 g/mol, XLogP of 2.86, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-(3-nitrophenyl)acetamide is sourced from PubChem (CID 1254790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).