3-(4-methoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide

C20H24N2O5S — CID 4802938

IUPAC3-(4-methoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C20H24N2O5S/c1-26-18-7-2-16(3-8-18)4-11-20(23)21-17-5-9-19(10-6-17)28(24,25)22-12-14-27-15-13-22/h2-3,5-10H,4,11-15H2,1H3,(H,21,23)
InChIKeyMFWYFMRZFLWCGI-UHFFFAOYSA-N
MW404.49 g/mol
LogP2.29
Rot. Bonds7

About 3-(4-methoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide

3-(4-methoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide (PubChem CID 4802938) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
PubChem CID4802938
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC Name3-(4-methoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C20H24N2O5S/c1-26-18-7-2-16(3-8-18)4-11-20(23)21-17-5-9-19(10-6-17)28(24,25)22-12-14-27-15-13-22/h2-3,5-10H,4,11-15H2,1H3,(H,21,23)
InChIKeyMFWYFMRZFLWCGI-UHFFFAOYSA-N
XLogP2.29
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide (CID 4802938) is 3-(4-methoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide is COc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The InChIKey is MFWYFMRZFLWCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-26-18-7-2-16(3-8-18)4-11-20(23)21-17-5-9-19(10-6-17)28(24,25)22-12-14-27-15-13-22/h2-3,5-10H,4,11-15H2,1H3,(H,21,23).
What are the key properties of 3-(4-methoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide?
3-(4-methoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide has a molecular weight of 404.49 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 4802938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).