N-[2-[(2S,5S,6S)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]-2-morpholin-4-ylacetamide

C20H30FN3O6S — CID 54639009

IUPACN-[2-[(2S,5S,6S)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)NCC[C@@H]1CC[C@H](NS(=O)(=O)c2ccc(F)cc2)[C@@H](CO)O1
InChIInChI=1S/C20H30FN3O6S/c21-15-1-4-17(5-2-15)31(27,28)23-18-6-3-16(30-19(18)14-25)7-8-22-20(26)13-24-9-11-29-12-10-24/h1-2,4-5,16,18-19,23,25H,3,6-14H2,(H,22,26)/t16-,18-,19+/m0/s1
InChIKeyJNXYUDJSGYXBCY-YTQUADARSA-N
MW459.54 g/mol
LogP-0.15
Rot. Bonds9

About N-[2-[(2S,5S,6S)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]-2-morpholin-4-ylacetamide

N-[2-[(2S,5S,6S)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]-2-morpholin-4-ylacetamide (PubChem CID 54639009) has the molecular formula C20H30FN3O6S and a molecular weight of 459.54 g/mol. Its IUPAC name is N-[2-[(2S,5S,6S)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[2-[(2S,5S,6S)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]-2-morpholin-4-ylacetamide
PubChem CID54639009
Molecular FormulaC20H30FN3O6S
Molecular Weight459.54 g/mol
Exact Mass459.18
IUPAC NameN-[2-[(2S,5S,6S)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)NCC[C@@H]1CC[C@H](NS(=O)(=O)c2ccc(F)cc2)[C@@H](CO)O1
InChIInChI=1S/C20H30FN3O6S/c21-15-1-4-17(5-2-15)31(27,28)23-18-6-3-16(30-19(18)14-25)7-8-22-20(26)13-24-9-11-29-12-10-24/h1-2,4-5,16,18-19,23,25H,3,6-14H2,(H,22,26)/t16-,18-,19+/m0/s1
InChIKeyJNXYUDJSGYXBCY-YTQUADARSA-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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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S,5S,6S)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[2-[(2S,5S,6S)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]-2-morpholin-4-ylacetamide (CID 54639009) is N-[2-[(2S,5S,6S)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[2-[(2S,5S,6S)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[2-[(2S,5S,6S)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]-2-morpholin-4-ylacetamide is O=C(CN1CCOCC1)NCC[C@@H]1CC[C@H](NS(=O)(=O)c2ccc(F)cc2)[C@@H](CO)O1.
What is the InChIKey of N-[2-[(2S,5S,6S)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]-2-morpholin-4-ylacetamide?
The InChIKey is JNXYUDJSGYXBCY-YTQUADARSA-N. The full InChI is InChI=1S/C20H30FN3O6S/c21-15-1-4-17(5-2-15)31(27,28)23-18-6-3-16(30-19(18)14-25)7-8-22-20(26)13-24-9-11-29-12-10-24/h1-2,4-5,16,18-19,23,25H,3,6-14H2,(H,22,26)/t16-,18-,19+/m0/s1.
What are the key properties of N-[2-[(2S,5S,6S)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]-2-morpholin-4-ylacetamide?
N-[2-[(2S,5S,6S)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]-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-[2-[(2S,5S,6S)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 54639009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).