2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(3-nitrophenyl)acetamide

C18H21N3O6S — CID 92645499

IUPAC2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(3-nitrophenyl)acetamide
SMILESCCN(CC(=O)Nc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(OC)c(C)c1
InChIInChI=1S/C18H21N3O6S/c1-4-20(28(25,26)16-8-9-17(27-3)13(2)10-16)12-18(22)19-14-6-5-7-15(11-14)21(23)24/h5-11H,4,12H2,1-3H3,(H,19,22)
InChIKeyPURBVFGVSHZBJF-UHFFFAOYSA-N
MW407.45 g/mol
LogP2.56
Rot. Bonds8

About 2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(3-nitrophenyl)acetamide

2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(3-nitrophenyl)acetamide (PubChem CID 92645499) has the molecular formula C18H21N3O6S and a molecular weight of 407.45 g/mol. Its IUPAC name is 2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(3-nitrophenyl)acetamide
PubChem CID92645499
Molecular FormulaC18H21N3O6S
Molecular Weight407.45 g/mol
Exact Mass407.12
IUPAC Name2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(3-nitrophenyl)acetamide
SMILESCCN(CC(=O)Nc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(OC)c(C)c1
InChIInChI=1S/C18H21N3O6S/c1-4-20(28(25,26)16-8-9-17(27-3)13(2)10-16)12-18(22)19-14-6-5-7-15(11-14)21(23)24/h5-11H,4,12H2,1-3H3,(H,19,22)
InChIKeyPURBVFGVSHZBJF-UHFFFAOYSA-N
XLogP2.56
TPSA118.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 52.56
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'}

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]acetamide
CID 92645488
2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-ethylamino]-N-(3-nitrophenyl)acetamide
CID 19259510
2-[(4-bromo-3-methylphenyl)sulfonyl-ethylamino]-N-(3-methoxyphenyl)acetamide
CID 2572082
2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(3-methoxyphenyl)acetamide
CID 5136984
2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)acetamide
CID 92645586
2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 1248167
2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)-N-(3-nitrophenyl)acetamide
CID 30267551
2-[3-(diethylsulfamoyl)-4-methylanilino]-N-(3-nitrophenyl)acetamide
CID 9100299
N-(3-chlorophenyl)-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
CID 3600540
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(3-nitroanilino)acetamide
CID 46537107
2-[benzenesulfonyl(ethyl)amino]-N-(2-methyl-5-nitrophenyl)acetamide
CID 2231731
N-cyclopentyl-2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]acetamide
CID 92645415

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(3-nitrophenyl)acetamide?
The IUPAC name of 2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(3-nitrophenyl)acetamide (CID 92645499) is 2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(3-nitrophenyl)acetamide.
What is the SMILES notation for 2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(3-nitrophenyl)acetamide?
The canonical SMILES for 2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(3-nitrophenyl)acetamide is CCN(CC(=O)Nc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(OC)c(C)c1.
What is the InChIKey of 2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(3-nitrophenyl)acetamide?
The InChIKey is PURBVFGVSHZBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O6S/c1-4-20(28(25,26)16-8-9-17(27-3)13(2)10-16)12-18(22)19-14-6-5-7-15(11-14)21(23)24/h5-11H,4,12H2,1-3H3,(H,19,22).
What are the key properties of 2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(3-nitrophenyl)acetamide?
2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(3-nitrophenyl)acetamide has a molecular weight of 407.45 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(3-nitrophenyl)acetamide is sourced from PubChem (CID 92645499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).