3-(4-fluorophenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide

C20H23FN2O6S — CID 30841810

IUPAC3-(4-fluorophenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CCOc1ccc(F)cc1
InChIInChI=1S/C20H23FN2O6S/c1-27-19-7-6-17(30(25,26)23-9-12-28-13-10-23)14-18(19)22-20(24)8-11-29-16-4-2-15(21)3-5-16/h2-7,14H,8-13H2,1H3,(H,22,24)
InChIKeyWLWGYZANMJIGHC-UHFFFAOYSA-N
MW438.48 g/mol
LogP2.26
Rot. Bonds8

About 3-(4-fluorophenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide

3-(4-fluorophenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide (PubChem CID 30841810) has the molecular formula C20H23FN2O6S and a molecular weight of 438.48 g/mol. Its IUPAC name is 3-(4-fluorophenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-fluorophenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide
PubChem CID30841810
Molecular FormulaC20H23FN2O6S
Molecular Weight438.48 g/mol
Exact Mass438.13
IUPAC Name3-(4-fluorophenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CCOc1ccc(F)cc1
InChIInChI=1S/C20H23FN2O6S/c1-27-19-7-6-17(30(25,26)23-9-12-28-13-10-23)14-18(19)22-20(24)8-11-29-16-4-2-15(21)3-5-16/h2-7,14H,8-13H2,1H3,(H,22,24)
InChIKeyWLWGYZANMJIGHC-UHFFFAOYSA-N
XLogP2.26
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-ethoxyphenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)butanamide
CID 4688141
3-(4-ethoxyphenoxy)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide
CID 24981047
4-(4-methoxyphenoxy)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide
CID 38000923
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylsulfanylacetamide
CID 8746733
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-phenylpropanamide
CID 7733250
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-nitrophenoxy)acetamide
CID 3892658
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-fluorophenyl)acetamide
CID 8502005
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 43892818
2-(azepan-1-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 4965549
3-(4-tert-butylphenyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide
CID 32546042
2-(4-fluorophenoxy)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 16552442
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-4-phenoxybutanamide
CID 4813371

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide?
The IUPAC name of 3-(4-fluorophenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide (CID 30841810) is 3-(4-fluorophenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide.
What is the SMILES notation for 3-(4-fluorophenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide?
The canonical SMILES for 3-(4-fluorophenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide is COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CCOc1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide?
The InChIKey is WLWGYZANMJIGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O6S/c1-27-19-7-6-17(30(25,26)23-9-12-28-13-10-23)14-18(19)22-20(24)8-11-29-16-4-2-15(21)3-5-16/h2-7,14H,8-13H2,1H3,(H,22,24).
What are the key properties of 3-(4-fluorophenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide?
3-(4-fluorophenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide has a molecular weight of 438.48 g/mol, XLogP of 2.26, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 30841810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).