N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3-(oxolan-2-yl)propanamide

C17H23FN2O5S — CID 55605507

IUPACN-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3-(oxolan-2-yl)propanamide
SMILESO=C(CCC1CCCO1)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C17H23FN2O5S/c18-15-5-3-13(19-17(21)6-4-14-2-1-9-25-14)12-16(15)26(22,23)20-7-10-24-11-8-20/h3,5,12,14H,1-2,4,6-11H2,(H,19,21)
InChIKeyGPFSAANYRRXVDI-UHFFFAOYSA-N
MW386.45 g/mol
LogP1.74
Rot. Bonds6

About N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3-(oxolan-2-yl)propanamide

N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3-(oxolan-2-yl)propanamide (PubChem CID 55605507) has the molecular formula C17H23FN2O5S and a molecular weight of 386.45 g/mol. Its IUPAC name is N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3-(oxolan-2-yl)propanamide.

Molecular Properties

Compound NameN-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3-(oxolan-2-yl)propanamide
PubChem CID55605507
Molecular FormulaC17H23FN2O5S
Molecular Weight386.45 g/mol
Exact Mass386.13
IUPAC NameN-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3-(oxolan-2-yl)propanamide
SMILESO=C(CCC1CCCO1)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C17H23FN2O5S/c18-15-5-3-13(19-17(21)6-4-14-2-1-9-25-14)12-16(15)26(22,23)20-7-10-24-11-8-20/h3,5,12,14H,1-2,4,6-11H2,(H,19,21)
InChIKeyGPFSAANYRRXVDI-UHFFFAOYSA-N
XLogP1.74
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 119265799
2-amino-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride
CID 119265798
N-(3-fluoro-4-sulfamoylphenyl)-3-(oxolan-2-yl)propanamide
CID 65155549
1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-3-(oxolan-2-yl)propan-1-one
CID 55607255
N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(oxolan-2-yl)propanamide
CID 55604794
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 98599209
2-(4-aminophenyl)-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride
CID 119678981
N-(3-chloro-4-methylphenyl)-3-(oxolan-2-yl)propanamide
CID 42956710
2-[(4-fluoro-3-morpholin-4-ylsulfonylphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120974368
N-(3-fluoro-4-methylphenyl)-2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]acetamide
CID 24817896
3-(3,4-difluorophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 46686125
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119265800

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3-(oxolan-2-yl)propanamide?
The IUPAC name of N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3-(oxolan-2-yl)propanamide (CID 55605507) is N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3-(oxolan-2-yl)propanamide.
What is the SMILES notation for N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3-(oxolan-2-yl)propanamide?
The canonical SMILES for N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3-(oxolan-2-yl)propanamide is O=C(CCC1CCCO1)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3-(oxolan-2-yl)propanamide?
The InChIKey is GPFSAANYRRXVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O5S/c18-15-5-3-13(19-17(21)6-4-14-2-1-9-25-14)12-16(15)26(22,23)20-7-10-24-11-8-20/h3,5,12,14H,1-2,4,6-11H2,(H,19,21).
What are the key properties of N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3-(oxolan-2-yl)propanamide?
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3-(oxolan-2-yl)propanamide has a molecular weight of 386.45 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3-(oxolan-2-yl)propanamide is sourced from PubChem (CID 55605507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).