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

C19H23N3O6S — CID 126395885

IUPACN-(2-methyl-3-nitrophenyl)-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide
SMILESCc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1C
InChIInChI=1S/C19H23N3O6S/c1-12(2)21-29(26,27)15-8-9-18(13(3)10-15)28-11-19(23)20-16-6-5-7-17(14(16)4)22(24)25/h5-10,12,21H,11H2,1-4H3,(H,20,23)
InChIKeyNGBXBTVLOIRHKV-UHFFFAOYSA-N
MW421.48 g/mol
LogP2.92
Rot. Bonds8

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

N-(2-methyl-3-nitrophenyl)-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide (PubChem CID 126395885) has the molecular formula C19H23N3O6S and a molecular weight of 421.48 g/mol. Its IUPAC name is N-(2-methyl-3-nitrophenyl)-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(2-methyl-3-nitrophenyl)-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide
PubChem CID126395885
Molecular FormulaC19H23N3O6S
Molecular Weight421.48 g/mol
Exact Mass421.13
IUPAC NameN-(2-methyl-3-nitrophenyl)-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide
SMILESCc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1C
InChIInChI=1S/C19H23N3O6S/c1-12(2)21-29(26,27)15-8-9-18(13(3)10-15)28-11-19(23)20-16-6-5-7-17(14(16)4)22(24)25/h5-10,12,21H,11H2,1-4H3,(H,20,23)
InChIKeyNGBXBTVLOIRHKV-UHFFFAOYSA-N
XLogP2.92
TPSA127.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 52.92
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

methyl 2-[[2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetyl]amino]benzoate
CID 2230108
N-(2,6-dichlorophenyl)-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide
CID 126395881
N-(2,3-dimethylphenyl)-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 126381639
N-(4-methoxyphenyl)-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide
CID 3961591
2-(3,4-dimethylphenoxy)-N-(2-methyl-3-nitrophenyl)acetamide
CID 2991740
2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-(2-methylphenyl)acetamide
CID 1266199
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(2-methyl-3-nitrophenyl)acetamide
CID 3962831
N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(2-nitrophenyl)acetamide
CID 92673619
2-(4-bromo-2-tert-butylphenoxy)-N-(2-methyl-3-nitrophenyl)acetamide
CID 17051590
N-(3-acetamido-2-methylphenyl)-2-(2-nitrophenoxy)acetamide
CID 134019256
N-butyl-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide
CID 126392203
2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-(3-nitrophenyl)acetamide
CID 1254790

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-nitrophenyl)-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide?
The IUPAC name of N-(2-methyl-3-nitrophenyl)-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide (CID 126395885) is N-(2-methyl-3-nitrophenyl)-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide.
What is the SMILES notation for N-(2-methyl-3-nitrophenyl)-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide?
The canonical SMILES for N-(2-methyl-3-nitrophenyl)-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide is Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1C.
What is the InChIKey of N-(2-methyl-3-nitrophenyl)-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide?
The InChIKey is NGBXBTVLOIRHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O6S/c1-12(2)21-29(26,27)15-8-9-18(13(3)10-15)28-11-19(23)20-16-6-5-7-17(14(16)4)22(24)25/h5-10,12,21H,11H2,1-4H3,(H,20,23).
What are the key properties of N-(2-methyl-3-nitrophenyl)-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide?
N-(2-methyl-3-nitrophenyl)-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide has a molecular weight of 421.48 g/mol, XLogP of 2.92, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-nitrophenyl)-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide is sourced from PubChem (CID 126395885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).