N-[(4-fluorophenyl)methyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide

C20H23FN2O5S — CID 4827594

IUPACN-[(4-fluorophenyl)methyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCc2ccc(F)cc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H23FN2O5S/c1-27-18-7-4-16(12-19(18)29(25,26)23-8-10-28-11-9-23)13-20(24)22-14-15-2-5-17(21)6-3-15/h2-7,12H,8-11,13-14H2,1H3,(H,22,24)
InChIKeySJHGRVFXQVSAHT-UHFFFAOYSA-N
MW422.48 g/mol
LogP1.71
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide

N-[(4-fluorophenyl)methyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 4827594) has the molecular formula C20H23FN2O5S and a molecular weight of 422.48 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID4827594
Molecular FormulaC20H23FN2O5S
Molecular Weight422.48 g/mol
Exact Mass422.13
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCc2ccc(F)cc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H23FN2O5S/c1-27-18-7-4-16(12-19(18)29(25,26)23-8-10-28-11-9-23)13-20(24)22-14-15-2-5-17(21)6-3-15/h2-7,12H,8-11,13-14H2,1H3,(H,22,24)
InChIKeySJHGRVFXQVSAHT-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide (CID 4827594) is N-[(4-fluorophenyl)methyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide is COc1ccc(CC(=O)NCc2ccc(F)cc2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is SJHGRVFXQVSAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O5S/c1-27-18-7-4-16(12-19(18)29(25,26)23-8-10-28-11-9-23)13-20(24)22-14-15-2-5-17(21)6-3-15/h2-7,12H,8-11,13-14H2,1H3,(H,22,24).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide?
N-[(4-fluorophenyl)methyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 422.48 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 4827594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).