N-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide

C18H21NO6S — CID 4306894

IUPACN-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide
SMILESCOc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(OC)cc2OC)cc1
InChIInChI=1S/C18H21NO6S/c1-23-13-4-7-15(8-5-13)26(21,22)11-10-18(20)19-16-9-6-14(24-2)12-17(16)25-3/h4-9,12H,10-11H2,1-3H3,(H,19,20)
InChIKeyUWLACILZIURUNB-UHFFFAOYSA-N
MW379.43 g/mol
LogP2.51
Rot. Bonds8

About N-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide

N-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide (PubChem CID 4306894) has the molecular formula C18H21NO6S and a molecular weight of 379.43 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide
PubChem CID4306894
Molecular FormulaC18H21NO6S
Molecular Weight379.43 g/mol
Exact Mass379.11
IUPAC NameN-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide
SMILESCOc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(OC)cc2OC)cc1
InChIInChI=1S/C18H21NO6S/c1-23-13-4-7-15(8-5-13)26(21,22)11-10-18(20)19-16-9-6-14(24-2)12-17(16)25-3/h4-9,12H,10-11H2,1-3H3,(H,19,20)
InChIKeyUWLACILZIURUNB-UHFFFAOYSA-N
XLogP2.51
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide (CID 4306894) is N-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide is COc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(OC)cc2OC)cc1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide?
The InChIKey is UWLACILZIURUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO6S/c1-23-13-4-7-15(8-5-13)26(21,22)11-10-18(20)19-16-9-6-14(24-2)12-17(16)25-3/h4-9,12H,10-11H2,1-3H3,(H,19,20).
What are the key properties of N-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide?
N-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide has a molecular weight of 379.43 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide is sourced from PubChem (CID 4306894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).