2-[methyl-(3-nitrophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)acetamide

C18H21N3O5S — CID 26217769

IUPAC2-[methyl-(3-nitrophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C)c1
InChIInChI=1S/C18H21N3O5S/c1-12-8-13(2)18(14(3)9-12)19-17(22)11-20(4)27(25,26)16-7-5-6-15(10-16)21(23)24/h5-10H,11H2,1-4H3,(H,19,22)
InChIKeyBMYUTXQNXJQONA-UHFFFAOYSA-N
MW391.45 g/mol
LogP2.78
Rot. Bonds6

About 2-[methyl-(3-nitrophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)acetamide

2-[methyl-(3-nitrophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 26217769) has the molecular formula C18H21N3O5S and a molecular weight of 391.45 g/mol. Its IUPAC name is 2-[methyl-(3-nitrophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[methyl-(3-nitrophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID26217769
Molecular FormulaC18H21N3O5S
Molecular Weight391.45 g/mol
Exact Mass391.12
IUPAC Name2-[methyl-(3-nitrophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C)c1
InChIInChI=1S/C18H21N3O5S/c1-12-8-13(2)18(14(3)9-12)19-17(22)11-20(4)27(25,26)16-7-5-6-15(10-16)21(23)24/h5-10H,11H2,1-4H3,(H,19,22)
InChIKeyBMYUTXQNXJQONA-UHFFFAOYSA-N
XLogP2.78
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[methyl-(3-nitrophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)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-[methyl-(3-nitrophenyl)sulfonylamino]-N-(3-methylphenyl)acetamide
CID 26217725
N-(2-chloro-4-methylphenyl)-2-[methyl-(3-nitrophenyl)sulfonylamino]acetamide
CID 112788630
2-[methyl-(3-nitrophenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 26217762
2-[N-(benzenesulfonyl)-4-nitroanilino]-N-(2,4,6-trimethylphenyl)acetamide
CID 2943131
N-benzyl-2-[methyl-(3-nitrophenyl)sulfonylamino]acetamide
CID 26217755
2-(2,4,6-trimethyl-N-(3-nitrophenyl)sulfonylanilino)acetyl chloride
CID 50892308
2-[benzenesulfonyl(methyl)amino]-N-(2,6-dimethylphenyl)acetamide
CID 26941914
3-(2,4,6-trimethyl-N-(3-nitrophenyl)sulfonylanilino)propanoic acid
CID 50892323
2-[[4-(2-methoxyethoxy)phenyl]sulfonyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 35393691
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-(4-nitrophenyl)acetamide
CID 9339457
N-[1-(4-chlorophenyl)ethyl]-2-[methyl-(3-nitrophenyl)sulfonylamino]acetamide
CID 112808147
2-[methyl(methylsulfonyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 30464677

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(3-nitrophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[methyl-(3-nitrophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)acetamide (CID 26217769) is 2-[methyl-(3-nitrophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[methyl-(3-nitrophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[methyl-(3-nitrophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C)c1.
What is the InChIKey of 2-[methyl-(3-nitrophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is BMYUTXQNXJQONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5S/c1-12-8-13(2)18(14(3)9-12)19-17(22)11-20(4)27(25,26)16-7-5-6-15(10-16)21(23)24/h5-10H,11H2,1-4H3,(H,19,22).
What are the key properties of 2-[methyl-(3-nitrophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)acetamide?
2-[methyl-(3-nitrophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 391.45 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(3-nitrophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 26217769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).