2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-(4-phenoxyphenyl)acetamide

C22H21N3O7S — CID 2224817

IUPAC2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-(4-phenoxyphenyl)acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(Oc2ccccc2)cc1)S(C)(=O)=O
InChIInChI=1S/C22H21N3O7S/c1-31-21-13-10-17(25(27)28)14-20(21)24(33(2,29)30)15-22(26)23-16-8-11-19(12-9-16)32-18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H,23,26)
InChIKeyXYPGGWMAYNNDCG-UHFFFAOYSA-N
MW471.49 g/mol
LogP3.80
Rot. Bonds9

About 2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-(4-phenoxyphenyl)acetamide

2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-(4-phenoxyphenyl)acetamide (PubChem CID 2224817) has the molecular formula C22H21N3O7S and a molecular weight of 471.49 g/mol. Its IUPAC name is 2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-(4-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-(4-phenoxyphenyl)acetamide
PubChem CID2224817
Molecular FormulaC22H21N3O7S
Molecular Weight471.49 g/mol
Exact Mass471.11
IUPAC Name2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-(4-phenoxyphenyl)acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(Oc2ccccc2)cc1)S(C)(=O)=O
InChIInChI=1S/C22H21N3O7S/c1-31-21-13-10-17(25(27)28)14-20(21)24(33(2,29)30)15-22(26)23-16-8-11-19(12-9-16)32-18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H,23,26)
InChIKeyXYPGGWMAYNNDCG-UHFFFAOYSA-N
XLogP3.80
TPSA128.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.49
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-methoxy-N-methylsulfonyl-5-nitroanilino)-N-(3-methoxyphenyl)acetamide
CID 3271893
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide
CID 1343105
2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-(3-methylphenyl)acetamide
CID 1266049
N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)acetamide
CID 5025306
2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-propan-2-ylacetamide
CID 5000921
2-(2-methoxy-N-methylsulfonylanilino)-N-(4-methoxyphenyl)acetamide
CID 1334036
N-benzyl-2-[[2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)acetyl]amino]benzamide
CID 2301794
2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)-N-(4-phenoxyphenyl)acetamide
CID 43891741
2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 92686108
N-[(2S)-butan-2-yl]-2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)acetamide
CID 124550853
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
CID 1099912
2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-(4-phenoxyphenyl)acetamide
CID 126127532

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-(4-phenoxyphenyl)acetamide?
The IUPAC name of 2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-(4-phenoxyphenyl)acetamide (CID 2224817) is 2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-(4-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-(4-phenoxyphenyl)acetamide?
The canonical SMILES for 2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-(4-phenoxyphenyl)acetamide is COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(Oc2ccccc2)cc1)S(C)(=O)=O.
What is the InChIKey of 2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-(4-phenoxyphenyl)acetamide?
The InChIKey is XYPGGWMAYNNDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O7S/c1-31-21-13-10-17(25(27)28)14-20(21)24(33(2,29)30)15-22(26)23-16-8-11-19(12-9-16)32-18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H,23,26).
What are the key properties of 2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-(4-phenoxyphenyl)acetamide?
2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-(4-phenoxyphenyl)acetamide has a molecular weight of 471.49 g/mol, XLogP of 3.80, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-(4-phenoxyphenyl)acetamide is sourced from PubChem (CID 2224817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).