(3R)-N-hydroxy-4-[4-[4-(1H-imidazol-2-yl)phenoxy]phenyl]sulfonylmorpholine-3-carboxamide

C20H20N4O6S — CID 18345613

IUPAC(3R)-N-hydroxy-4-[4-[4-(1H-imidazol-2-yl)phenoxy]phenyl]sulfonylmorpholine-3-carboxamide
SMILESO=C(NO)[C@H]1COCCN1S(=O)(=O)c1ccc(Oc2ccc(-c3ncc[nH]3)cc2)cc1
InChIInChI=1S/C20H20N4O6S/c25-20(23-26)18-13-29-12-11-24(18)31(27,28)17-7-5-16(6-8-17)30-15-3-1-14(2-4-15)19-21-9-10-22-19/h1-10,18,26H,11-13H2,(H,21,22)(H,23,25)/t18-/m1/s1
InChIKeyBZXLSGYZOWXWMK-GOSISDBHSA-N
MW444.47 g/mol
LogP1.76
Rot. Bonds6

About (3R)-N-hydroxy-4-[4-[4-(1H-imidazol-2-yl)phenoxy]phenyl]sulfonylmorpholine-3-carboxamide

(3R)-N-hydroxy-4-[4-[4-(1H-imidazol-2-yl)phenoxy]phenyl]sulfonylmorpholine-3-carboxamide (PubChem CID 18345613) has the molecular formula C20H20N4O6S and a molecular weight of 444.47 g/mol. Its IUPAC name is (3R)-N-hydroxy-4-[4-[4-(1H-imidazol-2-yl)phenoxy]phenyl]sulfonylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-hydroxy-4-[4-[4-(1H-imidazol-2-yl)phenoxy]phenyl]sulfonylmorpholine-3-carboxamide
PubChem CID18345613
Molecular FormulaC20H20N4O6S
Molecular Weight444.47 g/mol
Exact Mass444.11
IUPAC Name(3R)-N-hydroxy-4-[4-[4-(1H-imidazol-2-yl)phenoxy]phenyl]sulfonylmorpholine-3-carboxamide
SMILESO=C(NO)[C@H]1COCCN1S(=O)(=O)c1ccc(Oc2ccc(-c3ncc[nH]3)cc2)cc1
InChIInChI=1S/C20H20N4O6S/c25-20(23-26)18-13-29-12-11-24(18)31(27,28)17-7-5-16(6-8-17)30-15-3-1-14(2-4-15)19-21-9-10-22-19/h1-10,18,26H,11-13H2,(H,21,22)(H,23,25)/t18-/m1/s1
InChIKeyBZXLSGYZOWXWMK-GOSISDBHSA-N
XLogP1.76
TPSA133.85 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.47
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(3R)-N-hydroxy-4-(4-pyridin-4-yloxyphenyl)sulfonylmorpholine-3-carboxamide
CID 18345616
(3R)-N-hydroxy-4-[4-(4-methoxyphenoxy)phenyl]sulfonylmorpholine-3-carboxamide
CID 18345614
(2R)-1-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxypiperazine-2-carboxamide
CID 18659875
4-[(6-cyano-3-pyridinyl)sulfonyl]-N-methylmorpholine-3-carboxamide
CID 114613914
4-acetyl-1-[4-(4-fluorophenoxy)phenyl]sulfonyl-N-hydroxypiperazine-2-carboxamide
CID 22592870
(3R)-4-(4-fluorophenyl)sulfonylmorpholine-3-carboxamide
CID 71193250
4-(4-fluorophenyl)sulfonyl-N-[(1S,3R)-5-hydroxy-2-adamantyl]morpholine-3-carboxamide
CID 16730453
4-[(2-chloro-4-pyridinyl)sulfonyl]-N-ethylmorpholine-3-carboxamide
CID 83098838
(2R,4S)-1-[4-(4-fluorophenoxy)phenyl]sulfonyl-N-hydroxy-4-pyrrolidin-1-ylpyrrolidine-2-carboxamide
CID 10789671
(2R)-1-[4-(4-fluorophenyl)phenyl]sulfonyl-N-hydroxypiperazine-2-carboxamide
CID 141017724
N-hydroxy-1-[4-(1H-pyrazol-5-yl)phenyl]sulfonylpiperazine-2-carboxamide;hydrochloride
CID 22592893
N-hydroxy-4-(4-methoxyphenyl)sulfonyl-1-(1-methylimidazol-4-yl)sulfonyl-1,4-diazepane-5-carboxamide
CID 21340801

Frequently Asked Questions

What is the IUPAC name of (3R)-N-hydroxy-4-[4-[4-(1H-imidazol-2-yl)phenoxy]phenyl]sulfonylmorpholine-3-carboxamide?
The IUPAC name of (3R)-N-hydroxy-4-[4-[4-(1H-imidazol-2-yl)phenoxy]phenyl]sulfonylmorpholine-3-carboxamide (CID 18345613) is (3R)-N-hydroxy-4-[4-[4-(1H-imidazol-2-yl)phenoxy]phenyl]sulfonylmorpholine-3-carboxamide.
What is the SMILES notation for (3R)-N-hydroxy-4-[4-[4-(1H-imidazol-2-yl)phenoxy]phenyl]sulfonylmorpholine-3-carboxamide?
The canonical SMILES for (3R)-N-hydroxy-4-[4-[4-(1H-imidazol-2-yl)phenoxy]phenyl]sulfonylmorpholine-3-carboxamide is O=C(NO)[C@H]1COCCN1S(=O)(=O)c1ccc(Oc2ccc(-c3ncc[nH]3)cc2)cc1.
What is the InChIKey of (3R)-N-hydroxy-4-[4-[4-(1H-imidazol-2-yl)phenoxy]phenyl]sulfonylmorpholine-3-carboxamide?
The InChIKey is BZXLSGYZOWXWMK-GOSISDBHSA-N. The full InChI is InChI=1S/C20H20N4O6S/c25-20(23-26)18-13-29-12-11-24(18)31(27,28)17-7-5-16(6-8-17)30-15-3-1-14(2-4-15)19-21-9-10-22-19/h1-10,18,26H,11-13H2,(H,21,22)(H,23,25)/t18-/m1/s1.
What are the key properties of (3R)-N-hydroxy-4-[4-[4-(1H-imidazol-2-yl)phenoxy]phenyl]sulfonylmorpholine-3-carboxamide?
(3R)-N-hydroxy-4-[4-[4-(1H-imidazol-2-yl)phenoxy]phenyl]sulfonylmorpholine-3-carboxamide has a molecular weight of 444.47 g/mol, XLogP of 1.76, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-hydroxy-4-[4-[4-(1H-imidazol-2-yl)phenoxy]phenyl]sulfonylmorpholine-3-carboxamide is sourced from PubChem (CID 18345613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).