N-cyclobutyl-2-[(2R,5R,6R)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetamide

C18H25FN2O5S — CID 54640227

IUPACN-cyclobutyl-2-[(2R,5R,6R)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetamide
SMILESO=C(C[C@H]1CC[C@@H](NS(=O)(=O)c2ccc(F)cc2)[C@H](CO)O1)NC1CCC1
InChIInChI=1S/C18H25FN2O5S/c19-12-4-7-15(8-5-12)27(24,25)21-16-9-6-14(26-17(16)11-22)10-18(23)20-13-2-1-3-13/h4-5,7-8,13-14,16-17,21-22H,1-3,6,9-11H2,(H,20,23)/t14-,16-,17+/m1/s1
InChIKeyNFGCCTFMVYXSBN-OIISXLGYSA-N
MW400.47 g/mol
LogP1.07
Rot. Bonds7

About N-cyclobutyl-2-[(2R,5R,6R)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetamide

N-cyclobutyl-2-[(2R,5R,6R)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetamide (PubChem CID 54640227) has the molecular formula C18H25FN2O5S and a molecular weight of 400.47 g/mol. Its IUPAC name is N-cyclobutyl-2-[(2R,5R,6R)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetamide.

Molecular Properties

Compound NameN-cyclobutyl-2-[(2R,5R,6R)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetamide
PubChem CID54640227
Molecular FormulaC18H25FN2O5S
Molecular Weight400.47 g/mol
Exact Mass400.15
IUPAC NameN-cyclobutyl-2-[(2R,5R,6R)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetamide
SMILESO=C(C[C@H]1CC[C@@H](NS(=O)(=O)c2ccc(F)cc2)[C@H](CO)O1)NC1CCC1
InChIInChI=1S/C18H25FN2O5S/c19-12-4-7-15(8-5-12)27(24,25)21-16-9-6-14(26-17(16)11-22)10-18(23)20-13-2-1-3-13/h4-5,7-8,13-14,16-17,21-22H,1-3,6,9-11H2,(H,20,23)/t14-,16-,17+/m1/s1
InChIKeyNFGCCTFMVYXSBN-OIISXLGYSA-N
XLogP1.07
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.47
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-2-[(2R,5R,6R)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetamide?
The IUPAC name of N-cyclobutyl-2-[(2R,5R,6R)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetamide (CID 54640227) is N-cyclobutyl-2-[(2R,5R,6R)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetamide.
What is the SMILES notation for N-cyclobutyl-2-[(2R,5R,6R)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetamide?
The canonical SMILES for N-cyclobutyl-2-[(2R,5R,6R)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetamide is O=C(C[C@H]1CC[C@@H](NS(=O)(=O)c2ccc(F)cc2)[C@H](CO)O1)NC1CCC1.
What is the InChIKey of N-cyclobutyl-2-[(2R,5R,6R)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetamide?
The InChIKey is NFGCCTFMVYXSBN-OIISXLGYSA-N. The full InChI is InChI=1S/C18H25FN2O5S/c19-12-4-7-15(8-5-12)27(24,25)21-16-9-6-14(26-17(16)11-22)10-18(23)20-13-2-1-3-13/h4-5,7-8,13-14,16-17,21-22H,1-3,6,9-11H2,(H,20,23)/t14-,16-,17+/m1/s1.
What are the key properties of N-cyclobutyl-2-[(2R,5R,6R)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetamide?
N-cyclobutyl-2-[(2R,5R,6R)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetamide has a molecular weight of 400.47 g/mol, XLogP of 1.07, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-2-[(2R,5R,6R)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetamide is sourced from PubChem (CID 54640227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).