2-[methyl-(2-methyl-5-nitrophenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)acetamide

C17H19N3O5S2 — CID 46557395

IUPAC2-[methyl-(2-methyl-5-nitrophenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)CN(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C
InChIInChI=1S/C17H19N3O5S2/c1-12-8-9-13(20(22)23)10-16(12)27(24,25)19(2)11-17(21)18-14-6-4-5-7-15(14)26-3/h4-10H,11H2,1-3H3,(H,18,21)
InChIKeySOHFQHXKRLHZHF-UHFFFAOYSA-N
MW409.49 g/mol
LogP2.88
Rot. Bonds7

About 2-[methyl-(2-methyl-5-nitrophenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)acetamide

2-[methyl-(2-methyl-5-nitrophenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)acetamide (PubChem CID 46557395) has the molecular formula C17H19N3O5S2 and a molecular weight of 409.49 g/mol. Its IUPAC name is 2-[methyl-(2-methyl-5-nitrophenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[methyl-(2-methyl-5-nitrophenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)acetamide
PubChem CID46557395
Molecular FormulaC17H19N3O5S2
Molecular Weight409.49 g/mol
Exact Mass409.08
IUPAC Name2-[methyl-(2-methyl-5-nitrophenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)CN(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C
InChIInChI=1S/C17H19N3O5S2/c1-12-8-9-13(20(22)23)10-16(12)27(24,25)19(2)11-17(21)18-14-6-4-5-7-15(14)26-3/h4-10H,11H2,1-3H3,(H,18,21)
InChIKeySOHFQHXKRLHZHF-UHFFFAOYSA-N
XLogP2.88
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.88
H-Bond Donors ≤ 51
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'}

Analyze 2-[methyl-(2-methyl-5-nitrophenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)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-[(2,5-dimethylphenyl)sulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 7510049
methyl 4-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]sulfamoyl]benzoate
CID 18096729
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 24678182
1,1-dimethyl-3-[2-[(2-methyl-5-nitrophenyl)sulfonylamino]phenyl]urea
CID 55811259
2-(2-acetamidophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide
CID 126187085
2-[benzenesulfonyl(ethyl)amino]-N-(2-methyl-5-nitrophenyl)acetamide
CID 2231731
2-[methyl-(3-nitrophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 26217769
2-[methyl-(3-nitrophenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 26217762
N,2-dimethyl-5-nitro-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide;hydrochloride
CID 119967320
N-(2-methylsulfanylphenyl)-2-(4-nitrophenoxy)acetamide
CID 2632387
N,2-dimethyl-5-nitro-N-phenylbenzenesulfonamide
CID 2920408
N-(2-chloro-4-methylphenyl)-2-[methyl-(3-nitrophenyl)sulfonylamino]acetamide
CID 112788630

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(2-methyl-5-nitrophenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[methyl-(2-methyl-5-nitrophenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)acetamide (CID 46557395) is 2-[methyl-(2-methyl-5-nitrophenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[methyl-(2-methyl-5-nitrophenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[methyl-(2-methyl-5-nitrophenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)acetamide is CSc1ccccc1NC(=O)CN(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C.
What is the InChIKey of 2-[methyl-(2-methyl-5-nitrophenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)acetamide?
The InChIKey is SOHFQHXKRLHZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5S2/c1-12-8-9-13(20(22)23)10-16(12)27(24,25)19(2)11-17(21)18-14-6-4-5-7-15(14)26-3/h4-10H,11H2,1-3H3,(H,18,21).
What are the key properties of 2-[methyl-(2-methyl-5-nitrophenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)acetamide?
2-[methyl-(2-methyl-5-nitrophenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)acetamide has a molecular weight of 409.49 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(2-methyl-5-nitrophenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 46557395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).