N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide

C25H27N3O6S — CID 3111592

IUPACN-[1-(3,4-dimethoxyphenyl)ethylideneamino]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
SMILESCOc1ccc(C(C)=NNC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1OC
InChIInChI=1S/C25H27N3O6S/c1-18(19-10-15-23(32-2)24(16-19)33-3)26-27-25(29)17-28(35(4,30)31)20-11-13-22(14-12-20)34-21-8-6-5-7-9-21/h5-16H,17H2,1-4H3,(H,27,29)
InChIKeyPUSCMCDSGNPRFX-UHFFFAOYSA-N
MW497.57 g/mol
LogP3.80
Rot. Bonds10

About N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide

N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide (PubChem CID 3111592) has the molecular formula C25H27N3O6S and a molecular weight of 497.57 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)ethylideneamino]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
PubChem CID3111592
Molecular FormulaC25H27N3O6S
Molecular Weight497.57 g/mol
Exact Mass497.16
IUPAC NameN-[1-(3,4-dimethoxyphenyl)ethylideneamino]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
SMILESCOc1ccc(C(C)=NNC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1OC
InChIInChI=1S/C25H27N3O6S/c1-18(19-10-15-23(32-2)24(16-19)33-3)26-27-25(29)17-28(35(4,30)31)20-11-13-22(14-12-20)34-21-8-6-5-7-9-21/h5-16H,17H2,1-4H3,(H,27,29)
InChIKeyPUSCMCDSGNPRFX-UHFFFAOYSA-N
XLogP3.80
TPSA106.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.57
LogP ≤ 53.80
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-[1-(3,4-dimethoxyphenyl)ethylideneamino]-2-(N-methylsulfonyl-4-phenoxyanilino)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

N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 21212195
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide
CID 126124265
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 126033421
2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide
CID 27088718
2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide
CID 126148217
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 126122657
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(E)-1-phenylethylideneamino]acetamide
CID 5340275
N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-3-phenylpropanamide
CID 4146056
2-(3-methyl-N-methylsulfonylanilino)-N-[(E)-1-phenylethylideneamino]acetamide
CID 43879603
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 100710395
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 6367634
2-(4-iodo-N-methylsulfonylanilino)-N-[(Z)-1-(3-iodophenyl)ethylideneamino]acetamide
CID 126030461

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide (CID 3111592) is N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide is COc1ccc(C(C)=NNC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1OC.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide?
The InChIKey is PUSCMCDSGNPRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O6S/c1-18(19-10-15-23(32-2)24(16-19)33-3)26-27-25(29)17-28(35(4,30)31)20-11-13-22(14-12-20)34-21-8-6-5-7-9-21/h5-16H,17H2,1-4H3,(H,27,29).
What are the key properties of N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide?
N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide has a molecular weight of 497.57 g/mol, XLogP of 3.80, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide is sourced from PubChem (CID 3111592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).