N-[3-(dimethylamino)propyl]-2-[(2R,5S,6S)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetamide

C19H30FN3O5S — CID 54643763

IUPACN-[3-(dimethylamino)propyl]-2-[(2R,5S,6S)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetamide
SMILESCN(C)CCCNC(=O)C[C@H]1CC[C@H](NS(=O)(=O)c2ccc(F)cc2)[C@@H](CO)O1
InChIInChI=1S/C19H30FN3O5S/c1-23(2)11-3-10-21-19(25)12-15-6-9-17(18(13-24)28-15)22-29(26,27)16-7-4-14(20)5-8-16/h4-5,7-8,15,17-18,22,24H,3,6,9-13H2,1-2H3,(H,21,25)/t15-,17+,18-/m1/s1
InChIKeyULDPNUVREOZCAV-BPQIPLTHSA-N
MW431.53 g/mol
LogP0.47
Rot. Bonds10

About N-[3-(dimethylamino)propyl]-2-[(2R,5S,6S)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetamide

N-[3-(dimethylamino)propyl]-2-[(2R,5S,6S)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetamide (PubChem CID 54643763) has the molecular formula C19H30FN3O5S and a molecular weight of 431.53 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-[(2R,5S,6S)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-[(2R,5S,6S)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetamide
PubChem CID54643763
Molecular FormulaC19H30FN3O5S
Molecular Weight431.53 g/mol
Exact Mass431.19
IUPAC NameN-[3-(dimethylamino)propyl]-2-[(2R,5S,6S)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetamide
SMILESCN(C)CCCNC(=O)C[C@H]1CC[C@H](NS(=O)(=O)c2ccc(F)cc2)[C@@H](CO)O1
InChIInChI=1S/C19H30FN3O5S/c1-23(2)11-3-10-21-19(25)12-15-6-9-17(18(13-24)28-15)22-29(26,27)16-7-4-14(20)5-8-16/h4-5,7-8,15,17-18,22,24H,3,6,9-13H2,1-2H3,(H,21,25)/t15-,17+,18-/m1/s1
InChIKeyULDPNUVREOZCAV-BPQIPLTHSA-N
XLogP0.47
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.53
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-[(2S,5S,6R)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetamide
CID 54641622
N-[3-(dimethylamino)propyl]-2-[(2S,3S,6R)-3-[(4-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide
CID 54642877
N-cyclohexyl-2-[(2R,5S,6S)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetamide
CID 54645399
N-cyclohexyl-2-[(2R,5S,6R)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetamide
CID 54645394
1-(4-fluorophenyl)-3-[2-[(2S,5S,6S)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]urea
CID 54644929
N-[2-[(2S,5S,6S)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]-2-morpholin-4-ylacetamide
CID 54639009
2-[(2S,5R,6S)-6-(hydroxymethyl)-5-[(4-methylphenyl)sulfonylamino]oxan-2-yl]-N-(2-pyridin-4-ylethyl)acetamide
CID 54643160
N-[2-[(2R,5S,6R)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]-2-morpholin-4-ylacetamide
CID 54639005
2-[(2S,5S,6R)-6-(hydroxymethyl)-5-[(4-methylphenyl)sulfonylamino]oxan-2-yl]-N-(2-pyridin-4-ylethyl)acetamide
CID 54643163
N-[3-(dimethylamino)propyl]-2-[(2R,5S,6S)-6-(hydroxymethyl)-5-(propan-2-ylcarbamoylamino)oxan-2-yl]acetamide
CID 54639387
N-[3-(dimethylamino)propyl]-2-[(2R,3S,6S)-2-(hydroxymethyl)-3-[(4-methylphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetamide
CID 54643667
N-[3-(dimethylamino)propyl]-2-[(2R,3R,6R)-2-(hydroxymethyl)-3-[(4-methylphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetamide
CID 54643673

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-[(2R,5S,6S)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-[(2R,5S,6S)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetamide (CID 54643763) is N-[3-(dimethylamino)propyl]-2-[(2R,5S,6S)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-[(2R,5S,6S)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-[(2R,5S,6S)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetamide is CN(C)CCCNC(=O)C[C@H]1CC[C@H](NS(=O)(=O)c2ccc(F)cc2)[C@@H](CO)O1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-[(2R,5S,6S)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetamide?
The InChIKey is ULDPNUVREOZCAV-BPQIPLTHSA-N. The full InChI is InChI=1S/C19H30FN3O5S/c1-23(2)11-3-10-21-19(25)12-15-6-9-17(18(13-24)28-15)22-29(26,27)16-7-4-14(20)5-8-16/h4-5,7-8,15,17-18,22,24H,3,6,9-13H2,1-2H3,(H,21,25)/t15-,17+,18-/m1/s1.
What are the key properties of N-[3-(dimethylamino)propyl]-2-[(2R,5S,6S)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetamide?
N-[3-(dimethylamino)propyl]-2-[(2R,5S,6S)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetamide has a molecular weight of 431.53 g/mol, XLogP of 0.47, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-[(2R,5S,6S)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetamide is sourced from PubChem (CID 54643763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).