2-[(E)-(4-chlorophenyl)methylideneamino]oxy-N-(3-piperidin-1-ylsulfonylphenyl)acetamide

C20H22ClN3O4S — CID 18270213

IUPAC2-[(E)-(4-chlorophenyl)methylideneamino]oxy-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(CO/N=C/c1ccc(Cl)cc1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C20H22ClN3O4S/c21-17-9-7-16(8-10-17)14-22-28-15-20(25)23-18-5-4-6-19(13-18)29(26,27)24-11-2-1-3-12-24/h4-10,13-14H,1-3,11-12,15H2,(H,23,25)/b22-14+
InChIKeyNIPWCTJPCHJCKO-HYARGMPZSA-N
MW435.93 g/mol
LogP3.50
Rot. Bonds7

About 2-[(E)-(4-chlorophenyl)methylideneamino]oxy-N-(3-piperidin-1-ylsulfonylphenyl)acetamide

2-[(E)-(4-chlorophenyl)methylideneamino]oxy-N-(3-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 18270213) has the molecular formula C20H22ClN3O4S and a molecular weight of 435.93 g/mol. Its IUPAC name is 2-[(E)-(4-chlorophenyl)methylideneamino]oxy-N-(3-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[(E)-(4-chlorophenyl)methylideneamino]oxy-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID18270213
Molecular FormulaC20H22ClN3O4S
Molecular Weight435.93 g/mol
Exact Mass435.10
IUPAC Name2-[(E)-(4-chlorophenyl)methylideneamino]oxy-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(CO/N=C/c1ccc(Cl)cc1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C20H22ClN3O4S/c21-17-9-7-16(8-10-17)14-22-28-15-20(25)23-18-5-4-6-19(13-18)29(26,27)24-11-2-1-3-12-24/h4-10,13-14H,1-3,11-12,15H2,(H,23,25)/b22-14+
InChIKeyNIPWCTJPCHJCKO-HYARGMPZSA-N
XLogP3.50
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.93
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(Z)-(3-fluorophenyl)methylideneamino]oxy-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 7704490
[2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 4967233
2-(2,4-dichlorophenoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4798258
3-(4-chlorophenyl)-N-(3-piperidin-1-ylsulfonylphenyl)propanamide
CID 41484446
2-[(Z)-(4-chlorophenyl)methylideneamino]oxy-N-(3-fluorophenyl)acetamide
CID 7700971
2-bromo-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 60651214
3-(4-chlorophenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 24554825
2-ethoxy-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 35728244
[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 3,5-dichlorobenzoate
CID 16523259
[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 4-chloro-2-hydroxybenzoate
CID 71904864
4-amino-N-(3-piperidin-1-ylsulfonylphenyl)butanamide
CID 119262517
N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-(thiophen-2-ylmethylideneamino)oxyacetamide
CID 4172811

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(4-chlorophenyl)methylideneamino]oxy-N-(3-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[(E)-(4-chlorophenyl)methylideneamino]oxy-N-(3-piperidin-1-ylsulfonylphenyl)acetamide (CID 18270213) is 2-[(E)-(4-chlorophenyl)methylideneamino]oxy-N-(3-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[(E)-(4-chlorophenyl)methylideneamino]oxy-N-(3-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[(E)-(4-chlorophenyl)methylideneamino]oxy-N-(3-piperidin-1-ylsulfonylphenyl)acetamide is O=C(CO/N=C/c1ccc(Cl)cc1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 2-[(E)-(4-chlorophenyl)methylideneamino]oxy-N-(3-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is NIPWCTJPCHJCKO-HYARGMPZSA-N. The full InChI is InChI=1S/C20H22ClN3O4S/c21-17-9-7-16(8-10-17)14-22-28-15-20(25)23-18-5-4-6-19(13-18)29(26,27)24-11-2-1-3-12-24/h4-10,13-14H,1-3,11-12,15H2,(H,23,25)/b22-14+.
What are the key properties of 2-[(E)-(4-chlorophenyl)methylideneamino]oxy-N-(3-piperidin-1-ylsulfonylphenyl)acetamide?
2-[(E)-(4-chlorophenyl)methylideneamino]oxy-N-(3-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 435.93 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(4-chlorophenyl)methylideneamino]oxy-N-(3-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 18270213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).