N-[(5R)-5-[[3,5-difluoro-4-(4-fluorophenoxy)phenyl]sulfonylamino]-6-(hydroxyamino)-6-oxohexyl]morpholine-4-carboxamide

C23H27F3N4O7S — CID 10218430

IUPACN-[(5R)-5-[[3,5-difluoro-4-(4-fluorophenoxy)phenyl]sulfonylamino]-6-(hydroxyamino)-6-oxohexyl]morpholine-4-carboxamide
SMILESO=C(NO)[C@@H](CCCCNC(=O)N1CCOCC1)NS(=O)(=O)c1cc(F)c(Oc2ccc(F)cc2)c(F)c1
InChIInChI=1S/C23H27F3N4O7S/c24-15-4-6-16(7-5-15)37-21-18(25)13-17(14-19(21)26)38(34,35)29-20(22(31)28-33)3-1-2-8-27-23(32)30-9-11-36-12-10-30/h4-7,13-14,20,29,33H,1-3,8-12H2,(H,27,32)(H,28,31)/t20-/m1/s1
InChIKeyPWDYHRUTNSQJTF-HXUWFJFHSA-N
MW560.55 g/mol
LogP2.26
Rot. Bonds11

About N-[(5R)-5-[[3,5-difluoro-4-(4-fluorophenoxy)phenyl]sulfonylamino]-6-(hydroxyamino)-6-oxohexyl]morpholine-4-carboxamide

N-[(5R)-5-[[3,5-difluoro-4-(4-fluorophenoxy)phenyl]sulfonylamino]-6-(hydroxyamino)-6-oxohexyl]morpholine-4-carboxamide (PubChem CID 10218430) has the molecular formula C23H27F3N4O7S and a molecular weight of 560.55 g/mol. Its IUPAC name is N-[(5R)-5-[[3,5-difluoro-4-(4-fluorophenoxy)phenyl]sulfonylamino]-6-(hydroxyamino)-6-oxohexyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(5R)-5-[[3,5-difluoro-4-(4-fluorophenoxy)phenyl]sulfonylamino]-6-(hydroxyamino)-6-oxohexyl]morpholine-4-carboxamide
PubChem CID10218430
Molecular FormulaC23H27F3N4O7S
Molecular Weight560.55 g/mol
Exact Mass560.16
IUPAC NameN-[(5R)-5-[[3,5-difluoro-4-(4-fluorophenoxy)phenyl]sulfonylamino]-6-(hydroxyamino)-6-oxohexyl]morpholine-4-carboxamide
SMILESO=C(NO)[C@@H](CCCCNC(=O)N1CCOCC1)NS(=O)(=O)c1cc(F)c(Oc2ccc(F)cc2)c(F)c1
InChIInChI=1S/C23H27F3N4O7S/c24-15-4-6-16(7-5-15)37-21-18(25)13-17(14-19(21)26)38(34,35)29-20(22(31)28-33)3-1-2-8-27-23(32)30-9-11-36-12-10-30/h4-7,13-14,20,29,33H,1-3,8-12H2,(H,27,32)(H,28,31)/t20-/m1/s1
InChIKeyPWDYHRUTNSQJTF-HXUWFJFHSA-N
XLogP2.26
TPSA146.30 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.55
LogP ≤ 52.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(5R)-5-[[3,5-difluoro-4-(4-fluorophenoxy)phenyl]sulfonylamino]-6-(hydroxyamino)-6-oxohexyl]morpholine-4-carboxamide?
The IUPAC name of N-[(5R)-5-[[3,5-difluoro-4-(4-fluorophenoxy)phenyl]sulfonylamino]-6-(hydroxyamino)-6-oxohexyl]morpholine-4-carboxamide (CID 10218430) is N-[(5R)-5-[[3,5-difluoro-4-(4-fluorophenoxy)phenyl]sulfonylamino]-6-(hydroxyamino)-6-oxohexyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[(5R)-5-[[3,5-difluoro-4-(4-fluorophenoxy)phenyl]sulfonylamino]-6-(hydroxyamino)-6-oxohexyl]morpholine-4-carboxamide?
The canonical SMILES for N-[(5R)-5-[[3,5-difluoro-4-(4-fluorophenoxy)phenyl]sulfonylamino]-6-(hydroxyamino)-6-oxohexyl]morpholine-4-carboxamide is O=C(NO)[C@@H](CCCCNC(=O)N1CCOCC1)NS(=O)(=O)c1cc(F)c(Oc2ccc(F)cc2)c(F)c1.
What is the InChIKey of N-[(5R)-5-[[3,5-difluoro-4-(4-fluorophenoxy)phenyl]sulfonylamino]-6-(hydroxyamino)-6-oxohexyl]morpholine-4-carboxamide?
The InChIKey is PWDYHRUTNSQJTF-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H27F3N4O7S/c24-15-4-6-16(7-5-15)37-21-18(25)13-17(14-19(21)26)38(34,35)29-20(22(31)28-33)3-1-2-8-27-23(32)30-9-11-36-12-10-30/h4-7,13-14,20,29,33H,1-3,8-12H2,(H,27,32)(H,28,31)/t20-/m1/s1.
What are the key properties of N-[(5R)-5-[[3,5-difluoro-4-(4-fluorophenoxy)phenyl]sulfonylamino]-6-(hydroxyamino)-6-oxohexyl]morpholine-4-carboxamide?
N-[(5R)-5-[[3,5-difluoro-4-(4-fluorophenoxy)phenyl]sulfonylamino]-6-(hydroxyamino)-6-oxohexyl]morpholine-4-carboxamide has a molecular weight of 560.55 g/mol, XLogP of 2.26, 11 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5R)-5-[[3,5-difluoro-4-(4-fluorophenoxy)phenyl]sulfonylamino]-6-(hydroxyamino)-6-oxohexyl]morpholine-4-carboxamide is sourced from PubChem (CID 10218430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).