N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-(4-methoxy-N-methylsulfonylanilino)propanamide

C20H25N3O6S — CID 5335550

IUPACN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
SMILESCOc1ccc(N(C(C)C(=O)N/N=C/c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C20H25N3O6S/c1-14(23(30(5,25)26)16-7-9-17(27-2)10-8-16)20(24)22-21-13-15-6-11-18(28-3)19(12-15)29-4/h6-14H,1-5H3,(H,22,24)/b21-13+
InChIKeyFSSIYXWLRCHSIC-FYJGNVAPSA-N
MW435.50 g/mol
LogP2.02
Rot. Bonds9

About N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-(4-methoxy-N-methylsulfonylanilino)propanamide

N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-(4-methoxy-N-methylsulfonylanilino)propanamide (PubChem CID 5335550) has the molecular formula C20H25N3O6S and a molecular weight of 435.50 g/mol. Its IUPAC name is N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-(4-methoxy-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
PubChem CID5335550
Molecular FormulaC20H25N3O6S
Molecular Weight435.50 g/mol
Exact Mass435.15
IUPAC NameN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
SMILESCOc1ccc(N(C(C)C(=O)N/N=C/c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C20H25N3O6S/c1-14(23(30(5,25)26)16-7-9-17(27-2)10-8-16)20(24)22-21-13-15-6-11-18(28-3)19(12-15)29-4/h6-14H,1-5H3,(H,22,24)/b21-13+
InChIKeyFSSIYXWLRCHSIC-FYJGNVAPSA-N
XLogP2.02
TPSA106.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-(4-methoxy-N-methylsulfonylanilino)propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-(4-methoxy-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-(4-methoxy-N-methylsulfonylanilino)propanamide (CID 5335550) is N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-(4-methoxy-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-(4-methoxy-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-(4-methoxy-N-methylsulfonylanilino)propanamide is COc1ccc(N(C(C)C(=O)N/N=C/c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1.
What is the InChIKey of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-(4-methoxy-N-methylsulfonylanilino)propanamide?
The InChIKey is FSSIYXWLRCHSIC-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H25N3O6S/c1-14(23(30(5,25)26)16-7-9-17(27-2)10-8-16)20(24)22-21-13-15-6-11-18(28-3)19(12-15)29-4/h6-14H,1-5H3,(H,22,24)/b21-13+.
What are the key properties of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-(4-methoxy-N-methylsulfonylanilino)propanamide?
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-(4-methoxy-N-methylsulfonylanilino)propanamide has a molecular weight of 435.50 g/mol, XLogP of 2.02, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-(4-methoxy-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 5335550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).