N-[2-(4-fluorophenyl)sulfonylethyl]-2-morpholin-2-ylacetamide

C14H19FN2O4S — CID 77088465

IUPACN-[2-(4-fluorophenyl)sulfonylethyl]-2-morpholin-2-ylacetamide
SMILESO=C(CC1CNCCO1)NCCS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H19FN2O4S/c15-11-1-3-13(4-2-11)22(19,20)8-6-17-14(18)9-12-10-16-5-7-21-12/h1-4,12,16H,5-10H2,(H,17,18)
InChIKeyOTQXXZKEQSKVPQ-UHFFFAOYSA-N
MW330.38 g/mol
LogP0.09
Rot. Bonds6

About N-[2-(4-fluorophenyl)sulfonylethyl]-2-morpholin-2-ylacetamide

N-[2-(4-fluorophenyl)sulfonylethyl]-2-morpholin-2-ylacetamide (PubChem CID 77088465) has the molecular formula C14H19FN2O4S and a molecular weight of 330.38 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)sulfonylethyl]-2-morpholin-2-ylacetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)sulfonylethyl]-2-morpholin-2-ylacetamide
PubChem CID77088465
Molecular FormulaC14H19FN2O4S
Molecular Weight330.38 g/mol
Exact Mass330.10
IUPAC NameN-[2-(4-fluorophenyl)sulfonylethyl]-2-morpholin-2-ylacetamide
SMILESO=C(CC1CNCCO1)NCCS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H19FN2O4S/c15-11-1-3-13(4-2-11)22(19,20)8-6-17-14(18)9-12-10-16-5-7-21-12/h1-4,12,16H,5-10H2,(H,17,18)
InChIKeyOTQXXZKEQSKVPQ-UHFFFAOYSA-N
XLogP0.09
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-Fluorophenyl)sulfonyl-1-morpholin-4-ylpropan-1-one
CID 588543
1-(2,6-Dimethylmorpholin-4-yl)-3-(phenylsulfonyl)propan-1-one
CID 3163454
3-(4-fluorophenyl)sulfanyl-N-(2-morpholin-4-ylethyl)propanamide
CID 51072649
1-(2,6-Dimethylmorpholino)-2-[(4-fluorophenyl)sulfonyl]-1-ethanone
CID 2767174
2-(3,4-difluorophenyl)sulfonyl-N-(oxolan-2-ylmethyl)propanamide
CID 45826180
3-(4-fluorophenyl)sulfonyl-2-methyl-N-(1-morpholin-4-ylpropan-2-yl)propanamide
CID 71856869
2-(2,4-difluorophenyl)sulfonyl-1-[(2S)-2-methylmorpholin-4-yl]ethanone
CID 94151176
N-[(3-fluorophenyl)sulfonyl-piperidin-4-ylmethyl]-2-hydroxybutanediamide
CID 118353370
1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-(4-fluorophenyl)sulfonylethanone
CID 7036588
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(4-fluorophenyl)sulfonylethanone
CID 7036589
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-fluorophenyl)sulfonylethanone
CID 7036590
[(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 3-(4-fluorophenyl)sulfonylpropanoate
CID 8944562

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)sulfonylethyl]-2-morpholin-2-ylacetamide?
The IUPAC name of N-[2-(4-fluorophenyl)sulfonylethyl]-2-morpholin-2-ylacetamide (CID 77088465) is N-[2-(4-fluorophenyl)sulfonylethyl]-2-morpholin-2-ylacetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)sulfonylethyl]-2-morpholin-2-ylacetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)sulfonylethyl]-2-morpholin-2-ylacetamide is O=C(CC1CNCCO1)NCCS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)sulfonylethyl]-2-morpholin-2-ylacetamide?
The InChIKey is OTQXXZKEQSKVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O4S/c15-11-1-3-13(4-2-11)22(19,20)8-6-17-14(18)9-12-10-16-5-7-21-12/h1-4,12,16H,5-10H2,(H,17,18).
What are the key properties of N-[2-(4-fluorophenyl)sulfonylethyl]-2-morpholin-2-ylacetamide?
N-[2-(4-fluorophenyl)sulfonylethyl]-2-morpholin-2-ylacetamide has a molecular weight of 330.38 g/mol, XLogP of 0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)sulfonylethyl]-2-morpholin-2-ylacetamide is sourced from PubChem (CID 77088465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).