2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetamide

C18H22N2O7S — CID 1317052

IUPAC2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetamide
SMILESCOc1ccc(OC)c(N(CC(N)=O)S(=O)(=O)c2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C18H22N2O7S/c1-24-12-5-7-15(25-2)14(9-12)20(11-18(19)21)28(22,23)13-6-8-16(26-3)17(10-13)27-4/h5-10H,11H2,1-4H3,(H2,19,21)
InChIKeyOVOUNRJQNPKLBG-UHFFFAOYSA-N
MW410.45 g/mol
LogP1.40
Rot. Bonds9

About 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetamide

2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetamide (PubChem CID 1317052) has the molecular formula C18H22N2O7S and a molecular weight of 410.45 g/mol. Its IUPAC name is 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetamide.

Molecular Properties

Compound Name2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetamide
PubChem CID1317052
Molecular FormulaC18H22N2O7S
Molecular Weight410.45 g/mol
Exact Mass410.11
IUPAC Name2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetamide
SMILESCOc1ccc(OC)c(N(CC(N)=O)S(=O)(=O)c2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C18H22N2O7S/c1-24-12-5-7-15(25-2)14(9-12)20(11-18(19)21)28(22,23)13-6-8-16(26-3)17(10-13)27-4/h5-10H,11H2,1-4H3,(H2,19,21)
InChIKeyOVOUNRJQNPKLBG-UHFFFAOYSA-N
XLogP1.40
TPSA117.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetamide?
The IUPAC name of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetamide (CID 1317052) is 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetamide.
What is the SMILES notation for 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetamide?
The canonical SMILES for 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetamide is COc1ccc(OC)c(N(CC(N)=O)S(=O)(=O)c2ccc(OC)c(OC)c2)c1.
What is the InChIKey of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetamide?
The InChIKey is OVOUNRJQNPKLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O7S/c1-24-12-5-7-15(25-2)14(9-12)20(11-18(19)21)28(22,23)13-6-8-16(26-3)17(10-13)27-4/h5-10H,11H2,1-4H3,(H2,19,21).
What are the key properties of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetamide?
2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetamide has a molecular weight of 410.45 g/mol, XLogP of 1.40, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetamide is sourced from PubChem (CID 1317052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).