N-[(2S,3S,6S)-6-[2-[(2-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]-2-morpholin-4-ylacetamide

C20H30FN3O6S — CID 54639369

IUPACN-[(2S,3S,6S)-6-[2-[(2-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)N[C@H]1CC[C@@H](CCNS(=O)(=O)c2ccccc2F)O[C@@H]1CO
InChIInChI=1S/C20H30FN3O6S/c21-16-3-1-2-4-19(16)31(27,28)22-8-7-15-5-6-17(18(14-25)30-15)23-20(26)13-24-9-11-29-12-10-24/h1-4,15,17-18,22,25H,5-14H2,(H,23,26)/t15-,17-,18+/m0/s1
InChIKeyOCKURQXTXDTUJZ-RYQLBKOJSA-N
MW459.54 g/mol
LogP-0.15
Rot. Bonds9

About N-[(2S,3S,6S)-6-[2-[(2-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]-2-morpholin-4-ylacetamide

N-[(2S,3S,6S)-6-[2-[(2-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]-2-morpholin-4-ylacetamide (PubChem CID 54639369) has the molecular formula C20H30FN3O6S and a molecular weight of 459.54 g/mol. Its IUPAC name is N-[(2S,3S,6S)-6-[2-[(2-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[(2S,3S,6S)-6-[2-[(2-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]-2-morpholin-4-ylacetamide
PubChem CID54639369
Molecular FormulaC20H30FN3O6S
Molecular Weight459.54 g/mol
Exact Mass459.18
IUPAC NameN-[(2S,3S,6S)-6-[2-[(2-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)N[C@H]1CC[C@@H](CCNS(=O)(=O)c2ccccc2F)O[C@@H]1CO
InChIInChI=1S/C20H30FN3O6S/c21-16-3-1-2-4-19(16)31(27,28)22-8-7-15-5-6-17(18(14-25)30-15)23-20(26)13-24-9-11-29-12-10-24/h1-4,15,17-18,22,25H,5-14H2,(H,23,26)/t15-,17-,18+/m0/s1
InChIKeyOCKURQXTXDTUJZ-RYQLBKOJSA-N
XLogP-0.15
TPSA117.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.54
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(2S,3S,6R)-6-[2-[(2-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]-3-phenylurea
CID 54644225
1-[(2R,3R,6S)-6-[2-[(2-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]-3-phenylurea
CID 54644226
1-[(2S,3R,6S)-6-[2-[(2-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]-3-phenylurea
CID 54644219
1-(4-fluorophenyl)-3-[(2S,3S,6S)-6-[2-[(2-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]urea
CID 54644613
1-[(2S,3R,6S)-6-[2-[(2-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]-3-(4-methoxyphenyl)urea
CID 54639940
N-[2-[(2S,5S,6S)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]-2-morpholin-4-ylacetamide
CID 54639009
N-[2-[(2R,5S,6R)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]-2-morpholin-4-ylacetamide
CID 54639005
N-[2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[(2-morpholin-4-ylacetyl)amino]oxan-2-yl]ethyl]-2-pyridin-2-ylacetamide
CID 54645330
N-[2-[(2S,5R,6R)-6-(hydroxymethyl)-5-[(2-morpholin-4-ylacetyl)amino]oxan-2-yl]ethyl]-2-pyridin-2-ylacetamide
CID 54645333
N-[2-[(2S,5R,6S)-6-(hydroxymethyl)-5-[(2-morpholin-4-ylacetyl)amino]oxan-2-yl]ethyl]-2-pyridin-2-ylacetamide
CID 54645326
N-[2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[(2-morpholin-4-ylacetyl)amino]oxan-2-yl]ethyl]cyclopentanecarboxamide
CID 54645618
2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[(2-morpholin-4-ylacetyl)amino]oxan-2-yl]-N-(2-phenylethyl)acetamide
CID 54643037

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S,6S)-6-[2-[(2-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[(2S,3S,6S)-6-[2-[(2-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]-2-morpholin-4-ylacetamide (CID 54639369) is N-[(2S,3S,6S)-6-[2-[(2-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[(2S,3S,6S)-6-[2-[(2-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[(2S,3S,6S)-6-[2-[(2-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]-2-morpholin-4-ylacetamide is O=C(CN1CCOCC1)N[C@H]1CC[C@@H](CCNS(=O)(=O)c2ccccc2F)O[C@@H]1CO.
What is the InChIKey of N-[(2S,3S,6S)-6-[2-[(2-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]-2-morpholin-4-ylacetamide?
The InChIKey is OCKURQXTXDTUJZ-RYQLBKOJSA-N. The full InChI is InChI=1S/C20H30FN3O6S/c21-16-3-1-2-4-19(16)31(27,28)22-8-7-15-5-6-17(18(14-25)30-15)23-20(26)13-24-9-11-29-12-10-24/h1-4,15,17-18,22,25H,5-14H2,(H,23,26)/t15-,17-,18+/m0/s1.
What are the key properties of N-[(2S,3S,6S)-6-[2-[(2-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]-2-morpholin-4-ylacetamide?
N-[(2S,3S,6S)-6-[2-[(2-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]-2-morpholin-4-ylacetamide has a molecular weight of 459.54 g/mol, XLogP of -0.15, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S,6S)-6-[2-[(2-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 54639369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).