3-(4-ethoxyphenoxy)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide

C24H32N2O7S — CID 24981047

IUPAC3-(4-ethoxyphenoxy)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide
SMILESCCOc1ccc(OCCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC(C)C)cc1
InChIInChI=1S/C24H32N2O7S/c1-4-31-19-5-7-20(8-6-19)32-14-11-24(27)25-22-17-21(9-10-23(22)33-18(2)3)34(28,29)26-12-15-30-16-13-26/h5-10,17-18H,4,11-16H2,1-3H3,(H,25,27)
InChIKeyPFXNFKZWMTUXNY-UHFFFAOYSA-N
MW492.59 g/mol
LogP3.30
Rot. Bonds11

About 3-(4-ethoxyphenoxy)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide

3-(4-ethoxyphenoxy)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide (PubChem CID 24981047) has the molecular formula C24H32N2O7S and a molecular weight of 492.59 g/mol. Its IUPAC name is 3-(4-ethoxyphenoxy)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide.

Molecular Properties

Compound Name3-(4-ethoxyphenoxy)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide
PubChem CID24981047
Molecular FormulaC24H32N2O7S
Molecular Weight492.59 g/mol
Exact Mass492.19
IUPAC Name3-(4-ethoxyphenoxy)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide
SMILESCCOc1ccc(OCCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC(C)C)cc1
InChIInChI=1S/C24H32N2O7S/c1-4-31-19-5-7-20(8-6-19)32-14-11-24(27)25-22-17-21(9-10-23(22)33-18(2)3)34(28,29)26-12-15-30-16-13-26/h5-10,17-18H,4,11-16H2,1-3H3,(H,25,27)
InChIKeyPFXNFKZWMTUXNY-UHFFFAOYSA-N
XLogP3.30
TPSA103.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms34
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.59
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenoxy)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide?
The IUPAC name of 3-(4-ethoxyphenoxy)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide (CID 24981047) is 3-(4-ethoxyphenoxy)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide.
What is the SMILES notation for 3-(4-ethoxyphenoxy)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide?
The canonical SMILES for 3-(4-ethoxyphenoxy)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide is CCOc1ccc(OCCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC(C)C)cc1.
What is the InChIKey of 3-(4-ethoxyphenoxy)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide?
The InChIKey is PFXNFKZWMTUXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O7S/c1-4-31-19-5-7-20(8-6-19)32-14-11-24(27)25-22-17-21(9-10-23(22)33-18(2)3)34(28,29)26-12-15-30-16-13-26/h5-10,17-18H,4,11-16H2,1-3H3,(H,25,27).
What are the key properties of 3-(4-ethoxyphenoxy)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide?
3-(4-ethoxyphenoxy)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide has a molecular weight of 492.59 g/mol, XLogP of 3.30, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenoxy)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide is sourced from PubChem (CID 24981047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).