2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide

C25H28N2O6S — CID 43876650

IUPAC2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1cccc(N(CC(=O)NC(C)c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C25H28N2O6S/c1-18(19-13-14-23(32-3)24(15-19)33-4)26-25(28)17-27(20-9-8-10-21(16-20)31-2)34(29,30)22-11-6-5-7-12-22/h5-16,18H,17H2,1-4H3,(H,26,28)
InChIKeyAQGDPIBMCGCCTL-UHFFFAOYSA-N
MW484.57 g/mol
LogP3.79
Rot. Bonds10

About 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide

2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide (PubChem CID 43876650) has the molecular formula C25H28N2O6S and a molecular weight of 484.57 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
PubChem CID43876650
Molecular FormulaC25H28N2O6S
Molecular Weight484.57 g/mol
Exact Mass484.17
IUPAC Name2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1cccc(N(CC(=O)NC(C)c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C25H28N2O6S/c1-18(19-13-14-23(32-3)24(15-19)33-4)26-25(28)17-27(20-9-8-10-21(16-20)31-2)34(29,30)22-11-6-5-7-12-22/h5-16,18H,17H2,1-4H3,(H,26,28)
InChIKeyAQGDPIBMCGCCTL-UHFFFAOYSA-N
XLogP3.79
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
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 ≤ 106

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Related Compounds

2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 30304615
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 92678299
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(1-phenylethyl)acetamide
CID 3139129
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-(3-methoxy-N-methylsulfonylanilino)acetamide
CID 28573775
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 92682371
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 92672635
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[(1R)-1-(4-ethoxyphenyl)ethyl]acetamide
CID 30304253
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 30305601
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 92671858
2-[N-(benzenesulfonyl)-4-iodoanilino]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 43916981
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 133158376
2-[N-(benzenesulfonyl)-3-chloro-4-fluoroanilino]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 92673919

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide (CID 43876650) is 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide is COc1cccc(N(CC(=O)NC(C)c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide?
The InChIKey is AQGDPIBMCGCCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O6S/c1-18(19-13-14-23(32-3)24(15-19)33-4)26-25(28)17-27(20-9-8-10-21(16-20)31-2)34(29,30)22-11-6-5-7-12-22/h5-16,18H,17H2,1-4H3,(H,26,28).
What are the key properties of 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide?
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide has a molecular weight of 484.57 g/mol, XLogP of 3.79, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 43876650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).