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

C20H23FN2O4S — CID 30506440

IUPAC3-(2-fluorophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
SMILESO=C(CCc1ccccc1F)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H23FN2O4S/c21-19-4-2-1-3-17(19)7-10-20(24)22-15-16-5-8-18(9-6-16)28(25,26)23-11-13-27-14-12-23/h1-6,8-9H,7,10-15H2,(H,22,24)
InChIKeyBQCHSSKCBVFPES-UHFFFAOYSA-N
MW406.48 g/mol
LogP2.10
Rot. Bonds7

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

3-(2-fluorophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide (PubChem CID 30506440) has the molecular formula C20H23FN2O4S and a molecular weight of 406.48 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
PubChem CID30506440
Molecular FormulaC20H23FN2O4S
Molecular Weight406.48 g/mol
Exact Mass406.14
IUPAC Name3-(2-fluorophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
SMILESO=C(CCc1ccccc1F)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H23FN2O4S/c21-19-4-2-1-3-17(19)7-10-20(24)22-15-16-5-8-18(9-6-16)28(25,26)23-11-13-27-14-12-23/h1-6,8-9H,7,10-15H2,(H,22,24)
InChIKeyBQCHSSKCBVFPES-UHFFFAOYSA-N
XLogP2.10
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-fluorophenyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide
CID 55737007
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 43875203
3-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide;hydrochloride
CID 119271571
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-4-phenylbutanamide
CID 55704601
2,6-difluoro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide
CID 51189803
N-benzyl-N'-(4-morpholin-4-ylsulfonylphenyl)butanediamide
CID 45028132
2-(4-aminophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide
CID 119690125
2-(4-morpholin-4-ylsulfonylphenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 28562499
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 28562368
3-(2-methylphenoxy)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 27861911
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55705597
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-3-(2-fluorophenyl)propanamide
CID 55363274

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide?
The IUPAC name of 3-(2-fluorophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide (CID 30506440) is 3-(2-fluorophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide is O=C(CCc1ccccc1F)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 3-(2-fluorophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide?
The InChIKey is BQCHSSKCBVFPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O4S/c21-19-4-2-1-3-17(19)7-10-20(24)22-15-16-5-8-18(9-6-16)28(25,26)23-11-13-27-14-12-23/h1-6,8-9H,7,10-15H2,(H,22,24).
What are the key properties of 3-(2-fluorophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide?
3-(2-fluorophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide has a molecular weight of 406.48 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide is sourced from PubChem (CID 30506440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).