2-[N-(benzenesulfonyl)-4-iodoanilino]-N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]acetamide

C25H26IN3O5S — CID 126149335

IUPAC2-[N-(benzenesulfonyl)-4-iodoanilino]-N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]acetamide
SMILESCC/C(=N/NC(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C25H26IN3O5S/c1-4-22(18-10-15-23(33-2)24(16-18)34-3)27-28-25(30)17-29(20-13-11-19(26)12-14-20)35(31,32)21-8-6-5-7-9-21/h5-16H,4,17H2,1-3H3,(H,28,30)/b27-22-
InChIKeyYTCKPJFVJIUTFE-QYQHSDTDSA-N
MW607.47 g/mol
LogP4.43
Rot. Bonds10

About 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]acetamide

2-[N-(benzenesulfonyl)-4-iodoanilino]-N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]acetamide (PubChem CID 126149335) has the molecular formula C25H26IN3O5S and a molecular weight of 607.47 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-iodoanilino]-N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]acetamide
PubChem CID126149335
Molecular FormulaC25H26IN3O5S
Molecular Weight607.47 g/mol
Exact Mass607.06
IUPAC Name2-[N-(benzenesulfonyl)-4-iodoanilino]-N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]acetamide
SMILESCC/C(=N/NC(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C25H26IN3O5S/c1-4-22(18-10-15-23(33-2)24(16-18)34-3)27-28-25(30)17-29(20-13-11-19(26)12-14-20)35(31,32)21-8-6-5-7-9-21/h5-16H,4,17H2,1-3H3,(H,28,30)/b27-22-
InChIKeyYTCKPJFVJIUTFE-QYQHSDTDSA-N
XLogP4.43
TPSA97.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500607.47
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]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

2-[N-(benzenesulfonyl)-4-iodoanilino]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 43916981
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]acetamide
CID 126123028
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide
CID 126124265
N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 21212195
2-[N-(benzenesulfonyl)-4-iodoanilino]-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]acetamide
CID 126125104
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
N-[4-[(Z)-N-[[2-[N-(benzenesulfonyl)-4-iodoanilino]acetyl]amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 126155104
N-[2-[2-[1-(3,4-dimethoxyphenyl)ethenyl]hydrazinyl]-2-oxoethyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 2248885
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(E)-1-phenylethylideneamino]acetamide
CID 5340275
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(3,4-dimethoxyphenyl)methylideneamino]acetamide
CID 2250542
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-phenylacetamide
CID 998314

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]acetamide (CID 126149335) is 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]acetamide is CC/C(=N/NC(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)c1ccc(OC)c(OC)c1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]acetamide?
The InChIKey is YTCKPJFVJIUTFE-QYQHSDTDSA-N. The full InChI is InChI=1S/C25H26IN3O5S/c1-4-22(18-10-15-23(33-2)24(16-18)34-3)27-28-25(30)17-29(20-13-11-19(26)12-14-20)35(31,32)21-8-6-5-7-9-21/h5-16H,4,17H2,1-3H3,(H,28,30)/b27-22-.
What are the key properties of 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]acetamide?
2-[N-(benzenesulfonyl)-4-iodoanilino]-N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]acetamide has a molecular weight of 607.47 g/mol, XLogP of 4.43, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]acetamide is sourced from PubChem (CID 126149335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).