N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-fluorophenyl)acetamide

C20H23FN2O5S — CID 8502005

IUPACN-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-fluorophenyl)acetamide
SMILESCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C20H23FN2O5S/c1-2-28-19-8-7-17(29(25,26)23-9-11-27-12-10-23)14-18(19)22-20(24)13-15-3-5-16(21)6-4-15/h3-8,14H,2,9-13H2,1H3,(H,22,24)
InChIKeyPTBKHZJZOHRYNK-UHFFFAOYSA-N
MW422.48 g/mol
LogP2.43
Rot. Bonds7

About N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-fluorophenyl)acetamide

N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-fluorophenyl)acetamide (PubChem CID 8502005) has the molecular formula C20H23FN2O5S and a molecular weight of 422.48 g/mol. Its IUPAC name is N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-fluorophenyl)acetamide
PubChem CID8502005
Molecular FormulaC20H23FN2O5S
Molecular Weight422.48 g/mol
Exact Mass422.13
IUPAC NameN-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-fluorophenyl)acetamide
SMILESCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C20H23FN2O5S/c1-2-28-19-8-7-17(29(25,26)23-9-11-27-12-10-23)14-18(19)22-20(24)13-15-3-5-16(21)6-4-15/h3-8,14H,2,9-13H2,1H3,(H,22,24)
InChIKeyPTBKHZJZOHRYNK-UHFFFAOYSA-N
XLogP2.43
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-[4-(2-methylpropyl)phenyl]acetamide
CID 55395583
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-(2-fluorophenyl)acetamide
CID 7719521
2-(2,6-dichlorophenyl)-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 4881777
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-3-fluorobenzamide
CID 7719519
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2,6-difluorobenzamide
CID 26892844
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylbutanamide
CID 46511351
5-chloro-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)furan-2-carboxamide
CID 39802239
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-1-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 30669639
2-(3,4-dichlorophenyl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4801115
3-(4-fluorophenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide
CID 30841810
(2S)-2-amino-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)propanamide;hydrochloride
CID 119268074
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119683547

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-fluorophenyl)acetamide (CID 8502005) is N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-fluorophenyl)acetamide is CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cc1ccc(F)cc1.
What is the InChIKey of N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-fluorophenyl)acetamide?
The InChIKey is PTBKHZJZOHRYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O5S/c1-2-28-19-8-7-17(29(25,26)23-9-11-27-12-10-23)14-18(19)22-20(24)13-15-3-5-16(21)6-4-15/h3-8,14H,2,9-13H2,1H3,(H,22,24).
What are the key properties of N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-fluorophenyl)acetamide?
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-fluorophenyl)acetamide has a molecular weight of 422.48 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 8502005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).