N-[2-[2-[1-(3,4-dimethoxyphenyl)ethenyl]hydrazinyl]-2-oxoethyl]-N-(4-methoxyphenyl)benzenesulfonamide

C25H27N3O6S — CID 2248885

IUPACN-[2-[2-[1-(3,4-dimethoxyphenyl)ethenyl]hydrazinyl]-2-oxoethyl]-N-(4-methoxyphenyl)benzenesulfonamide
SMILESC=C(NNC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C25H27N3O6S/c1-18(19-10-15-23(33-3)24(16-19)34-4)26-27-25(29)17-28(20-11-13-21(32-2)14-12-20)35(30,31)22-8-6-5-7-9-22/h5-16,26H,1,17H2,2-4H3,(H,27,29)
InChIKeyGSEFYOMCOJPPOV-UHFFFAOYSA-N
MW497.57 g/mol
LogP3.20
Rot. Bonds11

About N-[2-[2-[1-(3,4-dimethoxyphenyl)ethenyl]hydrazinyl]-2-oxoethyl]-N-(4-methoxyphenyl)benzenesulfonamide

N-[2-[2-[1-(3,4-dimethoxyphenyl)ethenyl]hydrazinyl]-2-oxoethyl]-N-(4-methoxyphenyl)benzenesulfonamide (PubChem CID 2248885) has the molecular formula C25H27N3O6S and a molecular weight of 497.57 g/mol. Its IUPAC name is N-[2-[2-[1-(3,4-dimethoxyphenyl)ethenyl]hydrazinyl]-2-oxoethyl]-N-(4-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[2-[1-(3,4-dimethoxyphenyl)ethenyl]hydrazinyl]-2-oxoethyl]-N-(4-methoxyphenyl)benzenesulfonamide
PubChem CID2248885
Molecular FormulaC25H27N3O6S
Molecular Weight497.57 g/mol
Exact Mass497.16
IUPAC NameN-[2-[2-[1-(3,4-dimethoxyphenyl)ethenyl]hydrazinyl]-2-oxoethyl]-N-(4-methoxyphenyl)benzenesulfonamide
SMILESC=C(NNC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C25H27N3O6S/c1-18(19-10-15-23(33-3)24(16-19)34-4)26-27-25(29)17-28(20-11-13-21(32-2)14-12-20)35(30,31)22-8-6-5-7-9-22/h5-16,26H,1,17H2,2-4H3,(H,27,29)
InChIKeyGSEFYOMCOJPPOV-UHFFFAOYSA-N
XLogP3.20
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.57
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 21212195
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 978493
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(3,4-dimethoxyphenyl)methylideneamino]acetamide
CID 2250542
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 30304410
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-phenylacetamide
CID 998314
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 133210038
N-(2,5-dimethoxyphenyl)-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 1098083
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-naphthalen-1-ylacetamide
CID 1099906
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]acetamide
CID 6896418
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 43892699
2-[N-(benzenesulfonyl)-4-iodoanilino]-N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]acetamide
CID 126149335
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 30304615

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[1-(3,4-dimethoxyphenyl)ethenyl]hydrazinyl]-2-oxoethyl]-N-(4-methoxyphenyl)benzenesulfonamide?
The IUPAC name of N-[2-[2-[1-(3,4-dimethoxyphenyl)ethenyl]hydrazinyl]-2-oxoethyl]-N-(4-methoxyphenyl)benzenesulfonamide (CID 2248885) is N-[2-[2-[1-(3,4-dimethoxyphenyl)ethenyl]hydrazinyl]-2-oxoethyl]-N-(4-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for N-[2-[2-[1-(3,4-dimethoxyphenyl)ethenyl]hydrazinyl]-2-oxoethyl]-N-(4-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for N-[2-[2-[1-(3,4-dimethoxyphenyl)ethenyl]hydrazinyl]-2-oxoethyl]-N-(4-methoxyphenyl)benzenesulfonamide is C=C(NNC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1)c1ccc(OC)c(OC)c1.
What is the InChIKey of N-[2-[2-[1-(3,4-dimethoxyphenyl)ethenyl]hydrazinyl]-2-oxoethyl]-N-(4-methoxyphenyl)benzenesulfonamide?
The InChIKey is GSEFYOMCOJPPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O6S/c1-18(19-10-15-23(33-3)24(16-19)34-4)26-27-25(29)17-28(20-11-13-21(32-2)14-12-20)35(30,31)22-8-6-5-7-9-22/h5-16,26H,1,17H2,2-4H3,(H,27,29).
What are the key properties of N-[2-[2-[1-(3,4-dimethoxyphenyl)ethenyl]hydrazinyl]-2-oxoethyl]-N-(4-methoxyphenyl)benzenesulfonamide?
N-[2-[2-[1-(3,4-dimethoxyphenyl)ethenyl]hydrazinyl]-2-oxoethyl]-N-(4-methoxyphenyl)benzenesulfonamide has a molecular weight of 497.57 g/mol, XLogP of 3.20, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[1-(3,4-dimethoxyphenyl)ethenyl]hydrazinyl]-2-oxoethyl]-N-(4-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 2248885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).