2-[3-(diethylsulfamoyl)-4-methylanilino]-N-(4-methoxy-2-nitrophenyl)acetamide

C20H26N4O6S — CID 4795337

IUPAC2-[3-(diethylsulfamoyl)-4-methylanilino]-N-(4-methoxy-2-nitrophenyl)acetamide
SMILESCCN(CC)S(=O)(=O)c1cc(NCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])ccc1C
InChIInChI=1S/C20H26N4O6S/c1-5-23(6-2)31(28,29)19-11-15(8-7-14(19)3)21-13-20(25)22-17-10-9-16(30-4)12-18(17)24(26)27/h7-12,21H,5-6,13H2,1-4H3,(H,22,25)
InChIKeyGSTHUZDJPSJROE-UHFFFAOYSA-N
MW450.52 g/mol
LogP2.99
Rot. Bonds10

About 2-[3-(diethylsulfamoyl)-4-methylanilino]-N-(4-methoxy-2-nitrophenyl)acetamide

2-[3-(diethylsulfamoyl)-4-methylanilino]-N-(4-methoxy-2-nitrophenyl)acetamide (PubChem CID 4795337) has the molecular formula C20H26N4O6S and a molecular weight of 450.52 g/mol. Its IUPAC name is 2-[3-(diethylsulfamoyl)-4-methylanilino]-N-(4-methoxy-2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[3-(diethylsulfamoyl)-4-methylanilino]-N-(4-methoxy-2-nitrophenyl)acetamide
PubChem CID4795337
Molecular FormulaC20H26N4O6S
Molecular Weight450.52 g/mol
Exact Mass450.16
IUPAC Name2-[3-(diethylsulfamoyl)-4-methylanilino]-N-(4-methoxy-2-nitrophenyl)acetamide
SMILESCCN(CC)S(=O)(=O)c1cc(NCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])ccc1C
InChIInChI=1S/C20H26N4O6S/c1-5-23(6-2)31(28,29)19-11-15(8-7-14(19)3)21-13-20(25)22-17-10-9-16(30-4)12-18(17)24(26)27/h7-12,21H,5-6,13H2,1-4H3,(H,22,25)
InChIKeyGSTHUZDJPSJROE-UHFFFAOYSA-N
XLogP2.99
TPSA130.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 52.99
H-Bond Donors ≤ 52
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-(4-iodoanilino)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 4806528
2-[3-(diethylsulfamoyl)-4-methylanilino]-N-(3-nitrophenyl)acetamide
CID 9100299
2-[4-(diethylsulfamoyl)anilino]-N-(2,4-dimethoxyphenyl)acetamide
CID 9084136
2-[4-(diethylsulfamoyl)anilino]-N-(2,5-dimethoxyphenyl)acetamide
CID 9084037
2-(5-acetamido-2-methoxyanilino)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 42068751
2-[3-(diethylsulfamoyl)anilino]-N-(2,4-dimethoxyphenyl)acetamide
CID 29327817
N-(4-methoxy-2-nitrophenyl)-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide
CID 26438465
2-[4-acetamido-2-(trifluoromethyl)anilino]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 37175471
2-(2-acetylanilino)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 9103856
2-[[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8729454
2-(2-chloro-4-fluoroanilino)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 9099548
N-(3,4-dimethylphenyl)-2-[4-methoxy-2-(4-methyl-3-nitrophenyl)sulfonylanilino]acetamide
CID 22303867

Frequently Asked Questions

What is the IUPAC name of 2-[3-(diethylsulfamoyl)-4-methylanilino]-N-(4-methoxy-2-nitrophenyl)acetamide?
The IUPAC name of 2-[3-(diethylsulfamoyl)-4-methylanilino]-N-(4-methoxy-2-nitrophenyl)acetamide (CID 4795337) is 2-[3-(diethylsulfamoyl)-4-methylanilino]-N-(4-methoxy-2-nitrophenyl)acetamide.
What is the SMILES notation for 2-[3-(diethylsulfamoyl)-4-methylanilino]-N-(4-methoxy-2-nitrophenyl)acetamide?
The canonical SMILES for 2-[3-(diethylsulfamoyl)-4-methylanilino]-N-(4-methoxy-2-nitrophenyl)acetamide is CCN(CC)S(=O)(=O)c1cc(NCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])ccc1C.
What is the InChIKey of 2-[3-(diethylsulfamoyl)-4-methylanilino]-N-(4-methoxy-2-nitrophenyl)acetamide?
The InChIKey is GSTHUZDJPSJROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O6S/c1-5-23(6-2)31(28,29)19-11-15(8-7-14(19)3)21-13-20(25)22-17-10-9-16(30-4)12-18(17)24(26)27/h7-12,21H,5-6,13H2,1-4H3,(H,22,25).
What are the key properties of 2-[3-(diethylsulfamoyl)-4-methylanilino]-N-(4-methoxy-2-nitrophenyl)acetamide?
2-[3-(diethylsulfamoyl)-4-methylanilino]-N-(4-methoxy-2-nitrophenyl)acetamide has a molecular weight of 450.52 g/mol, XLogP of 2.99, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(diethylsulfamoyl)-4-methylanilino]-N-(4-methoxy-2-nitrophenyl)acetamide is sourced from PubChem (CID 4795337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).