N-[[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-2-[N-(benzenesulfonyl)-2,5-dimethylanilino]acetamide

C25H26N4O5S — CID 3577865

IUPACN-[[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-2-[N-(benzenesulfonyl)-2,5-dimethylanilino]acetamide
SMILESCc1ccc(C)c(N(CC(=O)NN=Cc2ccc(OCC(N)=O)cc2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C25H26N4O5S/c1-18-8-9-19(2)23(14-18)29(35(32,33)22-6-4-3-5-7-22)16-25(31)28-27-15-20-10-12-21(13-11-20)34-17-24(26)30/h3-15H,16-17H2,1-2H3,(H2,26,30)(H,28,31)
InChIKeyVZSZUIHTJQPGQN-UHFFFAOYSA-N
MW494.57 g/mol
LogP2.51
Rot. Bonds10

About N-[[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-2-[N-(benzenesulfonyl)-2,5-dimethylanilino]acetamide

N-[[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-2-[N-(benzenesulfonyl)-2,5-dimethylanilino]acetamide (PubChem CID 3577865) has the molecular formula C25H26N4O5S and a molecular weight of 494.57 g/mol. Its IUPAC name is N-[[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-2-[N-(benzenesulfonyl)-2,5-dimethylanilino]acetamide.

Molecular Properties

Compound NameN-[[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-2-[N-(benzenesulfonyl)-2,5-dimethylanilino]acetamide
PubChem CID3577865
Molecular FormulaC25H26N4O5S
Molecular Weight494.57 g/mol
Exact Mass494.16
IUPAC NameN-[[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-2-[N-(benzenesulfonyl)-2,5-dimethylanilino]acetamide
SMILESCc1ccc(C)c(N(CC(=O)NN=Cc2ccc(OCC(N)=O)cc2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C25H26N4O5S/c1-18-8-9-19(2)23(14-18)29(35(32,33)22-6-4-3-5-7-22)16-25(31)28-27-15-20-10-12-21(13-11-20)34-17-24(26)30/h3-15H,16-17H2,1-2H3,(H2,26,30)(H,28,31)
InChIKeyVZSZUIHTJQPGQN-UHFFFAOYSA-N
XLogP2.51
TPSA131.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.57
LogP ≤ 52.51
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'}

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Related Compounds

N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 28589725
N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126190793
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[(Z)-[4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]acetamide
CID 126191378
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[(Z)-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]acetamide
CID 124535353
2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]methylideneamino]acetamide
CID 124535404
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 3108706
2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-(4-methylphenyl)methylideneamino]acetamide
CID 27046659
2-[N-(benzenesulfonyl)-2-methylanilino]-N-(benzylideneamino)acetamide
CID 2716777
methyl 2-[4-[(E)-[[2-[N-(benzenesulfonyl)-2-methoxyanilino]acetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 5334257
methyl 2-[3-[(E)-[[2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]acetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 43876827
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
CID 43876806
methyl 2-[4-[(Z)-[[2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 94838392

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-2-[N-(benzenesulfonyl)-2,5-dimethylanilino]acetamide?
The IUPAC name of N-[[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-2-[N-(benzenesulfonyl)-2,5-dimethylanilino]acetamide (CID 3577865) is N-[[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-2-[N-(benzenesulfonyl)-2,5-dimethylanilino]acetamide.
What is the SMILES notation for N-[[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-2-[N-(benzenesulfonyl)-2,5-dimethylanilino]acetamide?
The canonical SMILES for N-[[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-2-[N-(benzenesulfonyl)-2,5-dimethylanilino]acetamide is Cc1ccc(C)c(N(CC(=O)NN=Cc2ccc(OCC(N)=O)cc2)S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N-[[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-2-[N-(benzenesulfonyl)-2,5-dimethylanilino]acetamide?
The InChIKey is VZSZUIHTJQPGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O5S/c1-18-8-9-19(2)23(14-18)29(35(32,33)22-6-4-3-5-7-22)16-25(31)28-27-15-20-10-12-21(13-11-20)34-17-24(26)30/h3-15H,16-17H2,1-2H3,(H2,26,30)(H,28,31).
What are the key properties of N-[[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-2-[N-(benzenesulfonyl)-2,5-dimethylanilino]acetamide?
N-[[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-2-[N-(benzenesulfonyl)-2,5-dimethylanilino]acetamide has a molecular weight of 494.57 g/mol, XLogP of 2.51, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-2-[N-(benzenesulfonyl)-2,5-dimethylanilino]acetamide is sourced from PubChem (CID 3577865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).