N-[[2-(3,4-dimethoxyphenyl)-1-(3,5-dimethoxyphenyl)ethylidene]amino]-1-phenylmethanesulfonamide

C25H28N2O6S — CID 141351759

IUPACN-[[2-(3,4-dimethoxyphenyl)-1-(3,5-dimethoxyphenyl)ethylidene]amino]-1-phenylmethanesulfonamide
SMILESCOc1cc(OC)cc(C(Cc2ccc(OC)c(OC)c2)=NNS(=O)(=O)Cc2ccccc2)c1
InChIInChI=1S/C25H28N2O6S/c1-30-21-14-20(15-22(16-21)31-2)23(12-19-10-11-24(32-3)25(13-19)33-4)26-27-34(28,29)17-18-8-6-5-7-9-18/h5-11,13-16,27H,12,17H2,1-4H3
InChIKeyKIVIBCQJHBULKL-UHFFFAOYSA-N
MW484.57 g/mol
LogP3.79
Rot. Bonds11

About N-[[2-(3,4-dimethoxyphenyl)-1-(3,5-dimethoxyphenyl)ethylidene]amino]-1-phenylmethanesulfonamide

N-[[2-(3,4-dimethoxyphenyl)-1-(3,5-dimethoxyphenyl)ethylidene]amino]-1-phenylmethanesulfonamide (PubChem CID 141351759) has the molecular formula C25H28N2O6S and a molecular weight of 484.57 g/mol. Its IUPAC name is N-[[2-(3,4-dimethoxyphenyl)-1-(3,5-dimethoxyphenyl)ethylidene]amino]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[[2-(3,4-dimethoxyphenyl)-1-(3,5-dimethoxyphenyl)ethylidene]amino]-1-phenylmethanesulfonamide
PubChem CID141351759
Molecular FormulaC25H28N2O6S
Molecular Weight484.57 g/mol
Exact Mass484.17
IUPAC NameN-[[2-(3,4-dimethoxyphenyl)-1-(3,5-dimethoxyphenyl)ethylidene]amino]-1-phenylmethanesulfonamide
SMILESCOc1cc(OC)cc(C(Cc2ccc(OC)c(OC)c2)=NNS(=O)(=O)Cc2ccccc2)c1
InChIInChI=1S/C25H28N2O6S/c1-30-21-14-20(15-22(16-21)31-2)23(12-19-10-11-24(32-3)25(13-19)33-4)26-27-34(28,29)17-18-8-6-5-7-9-18/h5-11,13-16,27H,12,17H2,1-4H3
InChIKeyKIVIBCQJHBULKL-UHFFFAOYSA-N
XLogP3.79
TPSA95.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.57
LogP ≤ 53.79
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'}

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Related Compounds

(NZ)-N-[2-(3,4-dimethoxyphenyl)-1-phenylethylidene]hydroxylamine
CID 134924868
N-[(Z)-1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]-3,5-dimethoxybenzamide
CID 9461207
N-[(2,5-dimethoxyphenyl)methyl]-1-phenylmethanesulfonamide
CID 31827805
N-(5-ethyl-2-methoxyphenyl)-1-phenylmethanesulfonamide
CID 110777258
1-(3,5-dimethoxyphenyl)-2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-5-methoxyphenyl]ethane-1,2-dione
CID 172869778
N-(4-methoxy-2,5-dimethylphenyl)-1-phenylmethanesulfonamide
CID 110776887
N-(4-methoxy-3-methylphenyl)-1-phenylmethanesulfonamide
CID 110776446
2-(3,4-dimethoxyphenyl)-N-(1,1-diphenylpropan-2-yl)acetamide
CID 46431995
N-(4,5-dimethoxy-2-methylphenyl)-1-phenylmethanesulfonamide
CID 8516229
1-(3,5-dimethoxyphenyl)-2-[2-[2-(3,4-dimethoxyphenyl)ethyl]-4,5-dimethoxyphenyl]ethane-1,2-dione
CID 172869648
methyl 4-[(2,5-dimethoxyphenyl)sulfamoylmethyl]benzoate
CID 28632724
N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]-1-phenylmethanesulfonamide
CID 110314905

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,4-dimethoxyphenyl)-1-(3,5-dimethoxyphenyl)ethylidene]amino]-1-phenylmethanesulfonamide?
The IUPAC name of N-[[2-(3,4-dimethoxyphenyl)-1-(3,5-dimethoxyphenyl)ethylidene]amino]-1-phenylmethanesulfonamide (CID 141351759) is N-[[2-(3,4-dimethoxyphenyl)-1-(3,5-dimethoxyphenyl)ethylidene]amino]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[[2-(3,4-dimethoxyphenyl)-1-(3,5-dimethoxyphenyl)ethylidene]amino]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[[2-(3,4-dimethoxyphenyl)-1-(3,5-dimethoxyphenyl)ethylidene]amino]-1-phenylmethanesulfonamide is COc1cc(OC)cc(C(Cc2ccc(OC)c(OC)c2)=NNS(=O)(=O)Cc2ccccc2)c1.
What is the InChIKey of N-[[2-(3,4-dimethoxyphenyl)-1-(3,5-dimethoxyphenyl)ethylidene]amino]-1-phenylmethanesulfonamide?
The InChIKey is KIVIBCQJHBULKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O6S/c1-30-21-14-20(15-22(16-21)31-2)23(12-19-10-11-24(32-3)25(13-19)33-4)26-27-34(28,29)17-18-8-6-5-7-9-18/h5-11,13-16,27H,12,17H2,1-4H3.
What are the key properties of N-[[2-(3,4-dimethoxyphenyl)-1-(3,5-dimethoxyphenyl)ethylidene]amino]-1-phenylmethanesulfonamide?
N-[[2-(3,4-dimethoxyphenyl)-1-(3,5-dimethoxyphenyl)ethylidene]amino]-1-phenylmethanesulfonamide has a molecular weight of 484.57 g/mol, XLogP of 3.79, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,4-dimethoxyphenyl)-1-(3,5-dimethoxyphenyl)ethylidene]amino]-1-phenylmethanesulfonamide is sourced from PubChem (CID 141351759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).