N-[(2R,3S,6S)-6-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]oxane-4-carboxamide

C20H29FN2O6S — CID 54639172

IUPACN-[(2R,3S,6S)-6-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]oxane-4-carboxamide
SMILESO=C(N[C@H]1CC[C@@H](CCNS(=O)(=O)c2ccc(F)cc2)O[C@H]1CO)C1CCOCC1
InChIInChI=1S/C20H29FN2O6S/c21-15-1-4-17(5-2-15)30(26,27)22-10-7-16-3-6-18(19(13-24)29-16)23-20(25)14-8-11-28-12-9-14/h1-2,4-5,14,16,18-19,22,24H,3,6-13H2,(H,23,25)/t16-,18-,19-/m0/s1
InChIKeyRRSRGJAXJRQFPD-WDSOQIARSA-N
MW444.53 g/mol
LogP0.95
Rot. Bonds8

About N-[(2R,3S,6S)-6-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]oxane-4-carboxamide

N-[(2R,3S,6S)-6-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]oxane-4-carboxamide (PubChem CID 54639172) has the molecular formula C20H29FN2O6S and a molecular weight of 444.53 g/mol. Its IUPAC name is N-[(2R,3S,6S)-6-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[(2R,3S,6S)-6-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]oxane-4-carboxamide
PubChem CID54639172
Molecular FormulaC20H29FN2O6S
Molecular Weight444.53 g/mol
Exact Mass444.17
IUPAC NameN-[(2R,3S,6S)-6-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]oxane-4-carboxamide
SMILESO=C(N[C@H]1CC[C@@H](CCNS(=O)(=O)c2ccc(F)cc2)O[C@H]1CO)C1CCOCC1
InChIInChI=1S/C20H29FN2O6S/c21-15-1-4-17(5-2-15)30(26,27)22-10-7-16-3-6-18(19(13-24)29-16)23-20(25)14-8-11-28-12-9-14/h1-2,4-5,14,16,18-19,22,24H,3,6-13H2,(H,23,25)/t16-,18-,19-/m0/s1
InChIKeyRRSRGJAXJRQFPD-WDSOQIARSA-N
XLogP0.95
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.53
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S,6S)-6-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]oxane-4-carboxamide?
The IUPAC name of N-[(2R,3S,6S)-6-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]oxane-4-carboxamide (CID 54639172) is N-[(2R,3S,6S)-6-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]oxane-4-carboxamide.
What is the SMILES notation for N-[(2R,3S,6S)-6-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]oxane-4-carboxamide?
The canonical SMILES for N-[(2R,3S,6S)-6-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]oxane-4-carboxamide is O=C(N[C@H]1CC[C@@H](CCNS(=O)(=O)c2ccc(F)cc2)O[C@H]1CO)C1CCOCC1.
What is the InChIKey of N-[(2R,3S,6S)-6-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]oxane-4-carboxamide?
The InChIKey is RRSRGJAXJRQFPD-WDSOQIARSA-N. The full InChI is InChI=1S/C20H29FN2O6S/c21-15-1-4-17(5-2-15)30(26,27)22-10-7-16-3-6-18(19(13-24)29-16)23-20(25)14-8-11-28-12-9-14/h1-2,4-5,14,16,18-19,22,24H,3,6-13H2,(H,23,25)/t16-,18-,19-/m0/s1.
What are the key properties of N-[(2R,3S,6S)-6-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]oxane-4-carboxamide?
N-[(2R,3S,6S)-6-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]oxane-4-carboxamide has a molecular weight of 444.53 g/mol, XLogP of 0.95, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S,6S)-6-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]oxane-4-carboxamide is sourced from PubChem (CID 54639172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).