2-(2-methyl-N-methylsulfonylanilino)-N-(4-nitrophenyl)acetamide

C16H17N3O5S — CID 2874689

IUPAC2-(2-methyl-N-methylsulfonylanilino)-N-(4-nitrophenyl)acetamide
SMILESCc1ccccc1N(CC(=O)Nc1ccc([N+](=O)[O-])cc1)S(C)(=O)=O
InChIInChI=1S/C16H17N3O5S/c1-12-5-3-4-6-15(12)18(25(2,23)24)11-16(20)17-13-7-9-14(10-8-13)19(21)22/h3-10H,11H2,1-2H3,(H,17,20)
InChIKeyMLKRKPPFPNLNFT-UHFFFAOYSA-N
MW363.40 g/mol
LogP2.31
Rot. Bonds6

About 2-(2-methyl-N-methylsulfonylanilino)-N-(4-nitrophenyl)acetamide

2-(2-methyl-N-methylsulfonylanilino)-N-(4-nitrophenyl)acetamide (PubChem CID 2874689) has the molecular formula C16H17N3O5S and a molecular weight of 363.40 g/mol. Its IUPAC name is 2-(2-methyl-N-methylsulfonylanilino)-N-(4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(2-methyl-N-methylsulfonylanilino)-N-(4-nitrophenyl)acetamide
PubChem CID2874689
Molecular FormulaC16H17N3O5S
Molecular Weight363.40 g/mol
Exact Mass363.09
IUPAC Name2-(2-methyl-N-methylsulfonylanilino)-N-(4-nitrophenyl)acetamide
SMILESCc1ccccc1N(CC(=O)Nc1ccc([N+](=O)[O-])cc1)S(C)(=O)=O
InChIInChI=1S/C16H17N3O5S/c1-12-5-3-4-6-15(12)18(25(2,23)24)11-16(20)17-13-7-9-14(10-8-13)19(21)22/h3-10H,11H2,1-2H3,(H,17,20)
InChIKeyMLKRKPPFPNLNFT-UHFFFAOYSA-N
XLogP2.31
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 52.31
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'}

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Related Compounds

N-(4-fluorophenyl)-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide
CID 53280872
N-(4-iodophenyl)-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide
CID 2199663
2-(2-methyl-N-methylsulfonylanilino)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]acetamide
CID 55507914
2-(2-methyl-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide
CID 8574795
2-(2-methyl-N-methylsulfonylanilino)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 55359292
N-(2,3-dimethylphenyl)-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide
CID 2948916
2-(2-methyl-N-methylsulfonylanilino)-N-(4-pyridin-4-yloxyphenyl)acetamide
CID 49363518
N-(3,4-dimethoxyphenyl)-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 3139212
N-[4-(1-adamantyl)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 23875417
2-(2-chloro-N-methylsulfonylanilino)-N-(3-nitrophenyl)acetamide
CID 1310728
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 30837672
N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 28589548

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-N-methylsulfonylanilino)-N-(4-nitrophenyl)acetamide?
The IUPAC name of 2-(2-methyl-N-methylsulfonylanilino)-N-(4-nitrophenyl)acetamide (CID 2874689) is 2-(2-methyl-N-methylsulfonylanilino)-N-(4-nitrophenyl)acetamide.
What is the SMILES notation for 2-(2-methyl-N-methylsulfonylanilino)-N-(4-nitrophenyl)acetamide?
The canonical SMILES for 2-(2-methyl-N-methylsulfonylanilino)-N-(4-nitrophenyl)acetamide is Cc1ccccc1N(CC(=O)Nc1ccc([N+](=O)[O-])cc1)S(C)(=O)=O.
What is the InChIKey of 2-(2-methyl-N-methylsulfonylanilino)-N-(4-nitrophenyl)acetamide?
The InChIKey is MLKRKPPFPNLNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5S/c1-12-5-3-4-6-15(12)18(25(2,23)24)11-16(20)17-13-7-9-14(10-8-13)19(21)22/h3-10H,11H2,1-2H3,(H,17,20).
What are the key properties of 2-(2-methyl-N-methylsulfonylanilino)-N-(4-nitrophenyl)acetamide?
2-(2-methyl-N-methylsulfonylanilino)-N-(4-nitrophenyl)acetamide has a molecular weight of 363.40 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-N-methylsulfonylanilino)-N-(4-nitrophenyl)acetamide is sourced from PubChem (CID 2874689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).