N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-2-(4-ethyl-N-methylsulfonylanilino)acetamide

C20H24N4O5S — CID 126032323

IUPACN-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-2-(4-ethyl-N-methylsulfonylanilino)acetamide
SMILESCCc1ccc(N(CC(=O)N/N=C\c2ccc(OCC(N)=O)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C20H24N4O5S/c1-3-15-4-8-17(9-5-15)24(30(2,27)28)13-20(26)23-22-12-16-6-10-18(11-7-16)29-14-19(21)25/h4-12H,3,13-14H2,1-2H3,(H2,21,25)(H,23,26)/b22-12-
InChIKeyZZVIXYGSZMVSCV-UUYOSTAYSA-N
MW432.50 g/mol
LogP1.03
Rot. Bonds10

About N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-2-(4-ethyl-N-methylsulfonylanilino)acetamide

N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-2-(4-ethyl-N-methylsulfonylanilino)acetamide (PubChem CID 126032323) has the molecular formula C20H24N4O5S and a molecular weight of 432.50 g/mol. Its IUPAC name is N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-2-(4-ethyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-2-(4-ethyl-N-methylsulfonylanilino)acetamide
PubChem CID126032323
Molecular FormulaC20H24N4O5S
Molecular Weight432.50 g/mol
Exact Mass432.15
IUPAC NameN-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-2-(4-ethyl-N-methylsulfonylanilino)acetamide
SMILESCCc1ccc(N(CC(=O)N/N=C\c2ccc(OCC(N)=O)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C20H24N4O5S/c1-3-15-4-8-17(9-5-15)24(30(2,27)28)13-20(26)23-22-12-16-6-10-18(11-7-16)29-14-19(21)25/h4-12H,3,13-14H2,1-2H3,(H2,21,25)(H,23,26)/b22-12-
InChIKeyZZVIXYGSZMVSCV-UUYOSTAYSA-N
XLogP1.03
TPSA131.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 51.03
H-Bond Donors ≤ 52
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'}

Analyze N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-2-(4-ethyl-N-methylsulfonylanilino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-ethyl-N-methylsulfonylanilino)-N-[(Z)-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylideneamino]acetamide
CID 126032698
methyl 2-[3-[(Z)-[[2-(4-ethyl-N-methylsulfonylanilino)acetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 126031996
N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-2-(2-bromo-N-methylsulfonylanilino)acetamide
CID 126189881
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(4-ethylphenoxy)acetamide
CID 5416713
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
2-(N-methylsulfonylanilino)-N-[(E)-[4-[(E)-[[2-(N-methylsulfonylanilino)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 16761126
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(Z)-(4-methoxyphenyl)methylideneamino]acetamide
CID 126032264
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-(3-fluoro-N-methylsulfonylanilino)acetamide
CID 126119788
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

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-2-(4-ethyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-2-(4-ethyl-N-methylsulfonylanilino)acetamide (CID 126032323) is N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-2-(4-ethyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-2-(4-ethyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-2-(4-ethyl-N-methylsulfonylanilino)acetamide is CCc1ccc(N(CC(=O)N/N=C\c2ccc(OCC(N)=O)cc2)S(C)(=O)=O)cc1.
What is the InChIKey of N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-2-(4-ethyl-N-methylsulfonylanilino)acetamide?
The InChIKey is ZZVIXYGSZMVSCV-UUYOSTAYSA-N. The full InChI is InChI=1S/C20H24N4O5S/c1-3-15-4-8-17(9-5-15)24(30(2,27)28)13-20(26)23-22-12-16-6-10-18(11-7-16)29-14-19(21)25/h4-12H,3,13-14H2,1-2H3,(H2,21,25)(H,23,26)/b22-12-.
What are the key properties of N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-2-(4-ethyl-N-methylsulfonylanilino)acetamide?
N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-2-(4-ethyl-N-methylsulfonylanilino)acetamide has a molecular weight of 432.50 g/mol, XLogP of 1.03, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-2-(4-ethyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 126032323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).