2-(N-ethyl-2-nitro-4-piperidin-1-ylsulfonylanilino)-N-(2-methoxyphenyl)acetamide

C22H28N4O6S — CID 55346728

IUPAC2-(N-ethyl-2-nitro-4-piperidin-1-ylsulfonylanilino)-N-(2-methoxyphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccccc1OC)c1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C22H28N4O6S/c1-3-24(16-22(27)23-18-9-5-6-10-21(18)32-2)19-12-11-17(15-20(19)26(28)29)33(30,31)25-13-7-4-8-14-25/h5-6,9-12,15H,3-4,7-8,13-14,16H2,1-2H3,(H,23,27)
InChIKeyCSQXLZHCGJILKJ-UHFFFAOYSA-N
MW476.56 g/mol
LogP3.24
Rot. Bonds9

About 2-(N-ethyl-2-nitro-4-piperidin-1-ylsulfonylanilino)-N-(2-methoxyphenyl)acetamide

2-(N-ethyl-2-nitro-4-piperidin-1-ylsulfonylanilino)-N-(2-methoxyphenyl)acetamide (PubChem CID 55346728) has the molecular formula C22H28N4O6S and a molecular weight of 476.56 g/mol. Its IUPAC name is 2-(N-ethyl-2-nitro-4-piperidin-1-ylsulfonylanilino)-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(N-ethyl-2-nitro-4-piperidin-1-ylsulfonylanilino)-N-(2-methoxyphenyl)acetamide
PubChem CID55346728
Molecular FormulaC22H28N4O6S
Molecular Weight476.56 g/mol
Exact Mass476.17
IUPAC Name2-(N-ethyl-2-nitro-4-piperidin-1-ylsulfonylanilino)-N-(2-methoxyphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccccc1OC)c1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C22H28N4O6S/c1-3-24(16-22(27)23-18-9-5-6-10-21(18)32-2)19-12-11-17(15-20(19)26(28)29)33(30,31)25-13-7-4-8-14-25/h5-6,9-12,15H,3-4,7-8,13-14,16H2,1-2H3,(H,23,27)
InChIKeyCSQXLZHCGJILKJ-UHFFFAOYSA-N
XLogP3.24
TPSA122.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.56
LogP ≤ 53.24
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-(N-ethyl-4-nitro-2-pyrrolidin-1-ylsulfonylanilino)-N-(2-methoxyphenyl)acetamide
CID 55346767
2-(N-ethyl-2,4-dinitroanilino)-N-(2-methoxyphenyl)acetamide
CID 51160125
2-(4-benzoyl-N-ethyl-2-nitroanilino)-N-(2-methoxyphenyl)acetamide
CID 55346842
2-(N-methyl-2-nitro-4-piperidin-1-ylsulfonylanilino)-N-(2-methylsulfanylphenyl)acetamide
CID 4620773
2-(2-methoxy-N-methylsulfonylanilino)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 46772784
2-(2-ethyl-N-methylsulfonylanilino)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 30219303
N-(2-methoxy-4-piperidin-1-ylsulfonylphenyl)propanamide
CID 763228
N-(2-methoxyphenyl)-2-(4-piperidin-1-ylsulfonylanilino)acetamide
CID 9083951
2-(2-chloro-N-methylsulfonylanilino)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 30219518
2-[N-(benzenesulfonyl)-4-nitroanilino]-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 43902176
[2-(2-methoxyanilino)-2-oxoethyl] 2-chloro-5-piperidin-1-ylsulfonylbenzoate
CID 2599302
N,N-diethyl-2-(N-methyl-2-nitro-4-piperidin-1-ylsulfonylanilino)acetamide
CID 9107911

Frequently Asked Questions

What is the IUPAC name of 2-(N-ethyl-2-nitro-4-piperidin-1-ylsulfonylanilino)-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-(N-ethyl-2-nitro-4-piperidin-1-ylsulfonylanilino)-N-(2-methoxyphenyl)acetamide (CID 55346728) is 2-(N-ethyl-2-nitro-4-piperidin-1-ylsulfonylanilino)-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(N-ethyl-2-nitro-4-piperidin-1-ylsulfonylanilino)-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-(N-ethyl-2-nitro-4-piperidin-1-ylsulfonylanilino)-N-(2-methoxyphenyl)acetamide is CCN(CC(=O)Nc1ccccc1OC)c1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-].
What is the InChIKey of 2-(N-ethyl-2-nitro-4-piperidin-1-ylsulfonylanilino)-N-(2-methoxyphenyl)acetamide?
The InChIKey is CSQXLZHCGJILKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O6S/c1-3-24(16-22(27)23-18-9-5-6-10-21(18)32-2)19-12-11-17(15-20(19)26(28)29)33(30,31)25-13-7-4-8-14-25/h5-6,9-12,15H,3-4,7-8,13-14,16H2,1-2H3,(H,23,27).
What are the key properties of 2-(N-ethyl-2-nitro-4-piperidin-1-ylsulfonylanilino)-N-(2-methoxyphenyl)acetamide?
2-(N-ethyl-2-nitro-4-piperidin-1-ylsulfonylanilino)-N-(2-methoxyphenyl)acetamide has a molecular weight of 476.56 g/mol, XLogP of 3.24, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethyl-2-nitro-4-piperidin-1-ylsulfonylanilino)-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 55346728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).