2-(4-ethyl-N-methylsulfonylanilino)-N-[(Z)-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylideneamino]acetamide

C25H32N4O5S — CID 126032698

IUPAC2-(4-ethyl-N-methylsulfonylanilino)-N-[(Z)-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylideneamino]acetamide
SMILESCCc1ccc(N(CC(=O)N/N=C\c2ccc(OCC(=O)N3CCCCC3)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C25H32N4O5S/c1-3-20-7-11-22(12-8-20)29(35(2,32)33)18-24(30)27-26-17-21-9-13-23(14-10-21)34-19-25(31)28-15-5-4-6-16-28/h7-14,17H,3-6,15-16,18-19H2,1-2H3,(H,27,30)/b26-17-
InChIKeyIAWXJBTYGHPLJW-ONUIUJJFSA-N
MW500.62 g/mol
LogP2.56
Rot. Bonds10

About 2-(4-ethyl-N-methylsulfonylanilino)-N-[(Z)-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylideneamino]acetamide

2-(4-ethyl-N-methylsulfonylanilino)-N-[(Z)-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylideneamino]acetamide (PubChem CID 126032698) has the molecular formula C25H32N4O5S and a molecular weight of 500.62 g/mol. Its IUPAC name is 2-(4-ethyl-N-methylsulfonylanilino)-N-[(Z)-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-ethyl-N-methylsulfonylanilino)-N-[(Z)-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylideneamino]acetamide
PubChem CID126032698
Molecular FormulaC25H32N4O5S
Molecular Weight500.62 g/mol
Exact Mass500.21
IUPAC Name2-(4-ethyl-N-methylsulfonylanilino)-N-[(Z)-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylideneamino]acetamide
SMILESCCc1ccc(N(CC(=O)N/N=C\c2ccc(OCC(=O)N3CCCCC3)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C25H32N4O5S/c1-3-20-7-11-22(12-8-20)29(35(2,32)33)18-24(30)27-26-17-21-9-13-23(14-10-21)34-19-25(31)28-15-5-4-6-16-28/h7-14,17H,3-6,15-16,18-19H2,1-2H3,(H,27,30)/b26-17-
InChIKeyIAWXJBTYGHPLJW-ONUIUJJFSA-N
XLogP2.56
TPSA108.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.62
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 126032323
2-(N-methylsulfonyl-3-nitroanilino)-N-[(Z)-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylideneamino]acetamide
CID 126030817
N-[(Z)-[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]-2-(4-iodo-N-methylsulfonylanilino)acetamide
CID 126035170
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(Z)-[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]acetamide
CID 126035631
methyl 2-[3-[(Z)-[[2-(4-ethyl-N-methylsulfonylanilino)acetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 126031996
2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(E)-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylideneamino]acetamide
CID 43878631
2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylideneamino]acetamide
CID 126034798
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(4-ethylphenoxy)acetamide
CID 5416713
2-cyano-N-[(E)-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylideneamino]acetamide
CID 21212205
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(Z)-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]acetamide
CID 126035352
N-[(E)-(4-fluorophenyl)methylideneamino]-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 43879653
N-[(E)-benzylideneamino]-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 43879630

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-N-methylsulfonylanilino)-N-[(Z)-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylideneamino]acetamide?
The IUPAC name of 2-(4-ethyl-N-methylsulfonylanilino)-N-[(Z)-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylideneamino]acetamide (CID 126032698) is 2-(4-ethyl-N-methylsulfonylanilino)-N-[(Z)-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylideneamino]acetamide.
What is the SMILES notation for 2-(4-ethyl-N-methylsulfonylanilino)-N-[(Z)-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylideneamino]acetamide?
The canonical SMILES for 2-(4-ethyl-N-methylsulfonylanilino)-N-[(Z)-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylideneamino]acetamide is CCc1ccc(N(CC(=O)N/N=C\c2ccc(OCC(=O)N3CCCCC3)cc2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-ethyl-N-methylsulfonylanilino)-N-[(Z)-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylideneamino]acetamide?
The InChIKey is IAWXJBTYGHPLJW-ONUIUJJFSA-N. The full InChI is InChI=1S/C25H32N4O5S/c1-3-20-7-11-22(12-8-20)29(35(2,32)33)18-24(30)27-26-17-21-9-13-23(14-10-21)34-19-25(31)28-15-5-4-6-16-28/h7-14,17H,3-6,15-16,18-19H2,1-2H3,(H,27,30)/b26-17-.
What are the key properties of 2-(4-ethyl-N-methylsulfonylanilino)-N-[(Z)-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylideneamino]acetamide?
2-(4-ethyl-N-methylsulfonylanilino)-N-[(Z)-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylideneamino]acetamide has a molecular weight of 500.62 g/mol, XLogP of 2.56, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-N-methylsulfonylanilino)-N-[(Z)-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylideneamino]acetamide is sourced from PubChem (CID 126032698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).