2-(4-methoxy-N-methylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide

C20H26N2O7S — CID 30220187

IUPAC2-(4-methoxy-N-methylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(N(CC(=O)NCc2cc(OC)c(OC)c(OC)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C20H26N2O7S/c1-26-16-8-6-15(7-9-16)22(30(5,24)25)13-19(23)21-12-14-10-17(27-2)20(29-4)18(11-14)28-3/h6-11H,12-13H2,1-5H3,(H,21,23)
InChIKeyDJZHACJWAQXPAH-UHFFFAOYSA-N
MW438.50 g/mol
LogP1.80
Rot. Bonds10

About 2-(4-methoxy-N-methylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide

2-(4-methoxy-N-methylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide (PubChem CID 30220187) has the molecular formula C20H26N2O7S and a molecular weight of 438.50 g/mol. Its IUPAC name is 2-(4-methoxy-N-methylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxy-N-methylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
PubChem CID30220187
Molecular FormulaC20H26N2O7S
Molecular Weight438.50 g/mol
Exact Mass438.15
IUPAC Name2-(4-methoxy-N-methylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(N(CC(=O)NCc2cc(OC)c(OC)c(OC)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C20H26N2O7S/c1-26-16-8-6-15(7-9-16)22(30(5,24)25)13-19(23)21-12-14-10-17(27-2)20(29-4)18(11-14)28-3/h6-11H,12-13H2,1-5H3,(H,21,23)
InChIKeyDJZHACJWAQXPAH-UHFFFAOYSA-N
XLogP1.80
TPSA103.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.50
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-fluoro-N-methylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 30221910
2-(4-ethyl-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 1318473
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 43908101
N-(2-methylpropyl)-2-(3,4,5-trimethoxy-N-methylsulfonylanilino)acetamide
CID 113156834
2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 43894513
N-benzyl-2-(2,4-dimethoxy-N-methylsulfonylanilino)acetamide
CID 998776
N-[(2-chlorophenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 113155200
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 3470704
N-(3,4-dimethoxyphenyl)-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 998735
N-benzyl-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide
CID 1102401
2-(4-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 23800742
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 978493

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-N-methylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(4-methoxy-N-methylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide (CID 30220187) is 2-(4-methoxy-N-methylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-methoxy-N-methylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-methoxy-N-methylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide is COc1ccc(N(CC(=O)NCc2cc(OC)c(OC)c(OC)c2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-methoxy-N-methylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The InChIKey is DJZHACJWAQXPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O7S/c1-26-16-8-6-15(7-9-16)22(30(5,24)25)13-19(23)21-12-14-10-17(27-2)20(29-4)18(11-14)28-3/h6-11H,12-13H2,1-5H3,(H,21,23).
What are the key properties of 2-(4-methoxy-N-methylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
2-(4-methoxy-N-methylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide has a molecular weight of 438.50 g/mol, XLogP of 1.80, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-N-methylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 30220187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).