2-fluoro-N-[2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[(4-methoxyphenyl)sulfonylamino]oxan-2-yl]ethyl]benzamide

C22H27FN2O6S — CID 53382745

IUPAC2-fluoro-N-[2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[(4-methoxyphenyl)sulfonylamino]oxan-2-yl]ethyl]benzamide
SMILESCOc1ccc(S(=O)(=O)N[C@H]2CC[C@H](CCNC(=O)c3ccccc3F)O[C@@H]2CO)cc1
InChIInChI=1S/C22H27FN2O6S/c1-30-15-6-9-17(10-7-15)32(28,29)25-20-11-8-16(31-21(20)14-26)12-13-24-22(27)18-4-2-3-5-19(18)23/h2-7,9-10,16,20-21,25-26H,8,11-14H2,1H3,(H,24,27)/t16-,20+,21-/m1/s1
InChIKeyHVUNBIMUUOMMCT-TYCQWZJGSA-N
MW466.53 g/mol
LogP1.84
Rot. Bonds9

About 2-fluoro-N-[2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[(4-methoxyphenyl)sulfonylamino]oxan-2-yl]ethyl]benzamide

2-fluoro-N-[2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[(4-methoxyphenyl)sulfonylamino]oxan-2-yl]ethyl]benzamide (PubChem CID 53382745) has the molecular formula C22H27FN2O6S and a molecular weight of 466.53 g/mol. Its IUPAC name is 2-fluoro-N-[2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[(4-methoxyphenyl)sulfonylamino]oxan-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[(4-methoxyphenyl)sulfonylamino]oxan-2-yl]ethyl]benzamide
PubChem CID53382745
Molecular FormulaC22H27FN2O6S
Molecular Weight466.53 g/mol
Exact Mass466.16
IUPAC Name2-fluoro-N-[2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[(4-methoxyphenyl)sulfonylamino]oxan-2-yl]ethyl]benzamide
SMILESCOc1ccc(S(=O)(=O)N[C@H]2CC[C@H](CCNC(=O)c3ccccc3F)O[C@@H]2CO)cc1
InChIInChI=1S/C22H27FN2O6S/c1-30-15-6-9-17(10-7-15)32(28,29)25-20-11-8-16(31-21(20)14-26)12-13-24-22(27)18-4-2-3-5-19(18)23/h2-7,9-10,16,20-21,25-26H,8,11-14H2,1H3,(H,24,27)/t16-,20+,21-/m1/s1
InChIKeyHVUNBIMUUOMMCT-TYCQWZJGSA-N
XLogP1.84
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.53
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-fluoro-N-[2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[(4-methoxyphenyl)sulfonylamino]oxan-2-yl]ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Hydroxy-N-[(2s,3r)-3-Hydroxy-4-{[(4-Methoxyphenyl)sulfonyl](2-Methylpropyl)amino}-1-Phenylbutan-2-Yl]benzamide
CID 44581950
N-[(2R)-2-hydroxy-2-[(4S)-14-hydroxy-2-oxo-12-oxa-3-azabicyclo[11.4.0]heptadeca-1(13),14,16-trien-4-yl]ethyl]-N-isobutyl-4-methoxy-benzenesulfonamide
CID 5277579
N-[(2R)-2-hydroxy-2-[(4S)-15-hydroxy-2-oxo-13-oxa-3-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-4-yl]ethyl]-N-isobutyl-4-methoxy-benzenesulfonamide
CID 5277581
2-allyloxy-3-hydroxy-N-[(1S)-1-[(1R)-1-hydroxy-2-[isobutyl-(4-methoxyphenyl)sulfonyl-amino]ethyl]hept-6-enyl]benzamide
CID 5277576
N-[(2R)-2-hydroxy-2-[(4S,9Z)-14-hydroxy-2-oxo-12-oxa-3-azabicyclo[11.4.0]heptadeca-1(13),9,14,16-tetraen-4-yl]ethyl]-N-isobutyl-4-methoxy-benzenesulfonamide
CID 5277577
2,3-dihydroxy-N-[(1S)-1-((1R)-1-hydroxy-2-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}ethyl)octyl]benzamide
CID 5277578
2-(but-3-enyloxy)-3-hydroxy-N-[(1S)-1-((1R)-1-hydroxy-2-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}ethyl)hept-6-enyl]benzamide
CID 5277580
N-[(2R)-2-hydroxy-2-[(4S)-16-hydroxy-2-oxo-14-oxa-3-azabicyclo[13.4.0]nonadeca-1(15),16,18-trien-4-yl]ethyl]-N-isobutyl-4-methoxy-benzenesulfonamide
CID 5277583
N-[(2s,3r)-4-{(Cyclohexylmethyl)[(4-Methoxyphenyl)sulfonyl]amino}-3-Hydroxy-1-Phenylbutan-2-Yl]-3-Hydroxybenzamide
CID 56973522
3-Hydroxy-N-[(2s,3r)-3-Hydroxy-4-{[(4-Methoxyphenyl)sulfonyl](3-Phenylpropyl)amino}-1-Phenylbutan-2-Yl]benzamide
CID 56973523
N-[2-hydroxy-2-(18-hydroxy-13-oxo-2-oxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-11-yl)ethyl]-4-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 44400516
N-[2-hydroxy-2-(17-hydroxy-12-oxo-2-oxa-11-azabicyclo[11.4.0]heptadeca-1(13),14,16-trien-10-yl)ethyl]-4-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 44400550

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[(4-methoxyphenyl)sulfonylamino]oxan-2-yl]ethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[(4-methoxyphenyl)sulfonylamino]oxan-2-yl]ethyl]benzamide (CID 53382745) is 2-fluoro-N-[2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[(4-methoxyphenyl)sulfonylamino]oxan-2-yl]ethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[(4-methoxyphenyl)sulfonylamino]oxan-2-yl]ethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[(4-methoxyphenyl)sulfonylamino]oxan-2-yl]ethyl]benzamide is COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](CCNC(=O)c3ccccc3F)O[C@@H]2CO)cc1.
What is the InChIKey of 2-fluoro-N-[2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[(4-methoxyphenyl)sulfonylamino]oxan-2-yl]ethyl]benzamide?
The InChIKey is HVUNBIMUUOMMCT-TYCQWZJGSA-N. The full InChI is InChI=1S/C22H27FN2O6S/c1-30-15-6-9-17(10-7-15)32(28,29)25-20-11-8-16(31-21(20)14-26)12-13-24-22(27)18-4-2-3-5-19(18)23/h2-7,9-10,16,20-21,25-26H,8,11-14H2,1H3,(H,24,27)/t16-,20+,21-/m1/s1.
What are the key properties of 2-fluoro-N-[2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[(4-methoxyphenyl)sulfonylamino]oxan-2-yl]ethyl]benzamide?
2-fluoro-N-[2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[(4-methoxyphenyl)sulfonylamino]oxan-2-yl]ethyl]benzamide has a molecular weight of 466.53 g/mol, XLogP of 1.84, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[(4-methoxyphenyl)sulfonylamino]oxan-2-yl]ethyl]benzamide is sourced from PubChem (CID 53382745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).