(3R)-N-hydroxy-4-[4-(4-methoxyphenoxy)phenyl]sulfonylmorpholine-3-carboxamide

C18H20N2O7S — CID 18345614

IUPAC(3R)-N-hydroxy-4-[4-(4-methoxyphenoxy)phenyl]sulfonylmorpholine-3-carboxamide
SMILESCOc1ccc(Oc2ccc(S(=O)(=O)N3CCOC[C@@H]3C(=O)NO)cc2)cc1
InChIInChI=1S/C18H20N2O7S/c1-25-13-2-4-14(5-3-13)27-15-6-8-16(9-7-15)28(23,24)20-10-11-26-12-17(20)18(21)19-22/h2-9,17,22H,10-12H2,1H3,(H,19,21)/t17-/m1/s1
InChIKeyXCKAQSZAMVFIAJ-QGZVFWFLSA-N
MW408.43 g/mol
LogP1.38
Rot. Bonds6

About (3R)-N-hydroxy-4-[4-(4-methoxyphenoxy)phenyl]sulfonylmorpholine-3-carboxamide

(3R)-N-hydroxy-4-[4-(4-methoxyphenoxy)phenyl]sulfonylmorpholine-3-carboxamide (PubChem CID 18345614) has the molecular formula C18H20N2O7S and a molecular weight of 408.43 g/mol. Its IUPAC name is (3R)-N-hydroxy-4-[4-(4-methoxyphenoxy)phenyl]sulfonylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-hydroxy-4-[4-(4-methoxyphenoxy)phenyl]sulfonylmorpholine-3-carboxamide
PubChem CID18345614
Molecular FormulaC18H20N2O7S
Molecular Weight408.43 g/mol
Exact Mass408.10
IUPAC Name(3R)-N-hydroxy-4-[4-(4-methoxyphenoxy)phenyl]sulfonylmorpholine-3-carboxamide
SMILESCOc1ccc(Oc2ccc(S(=O)(=O)N3CCOC[C@@H]3C(=O)NO)cc2)cc1
InChIInChI=1S/C18H20N2O7S/c1-25-13-2-4-14(5-3-13)27-15-6-8-16(9-7-15)28(23,24)20-10-11-26-12-17(20)18(21)19-22/h2-9,17,22H,10-12H2,1H3,(H,19,21)/t17-/m1/s1
InChIKeyXCKAQSZAMVFIAJ-QGZVFWFLSA-N
XLogP1.38
TPSA114.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 51.38
H-Bond Donors ≤ 52
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-(1H-imidazol-2-yl)phenoxy]phenyl]sulfonylmorpholine-3-carboxamide
CID 18345613
(6S)-N-hydroxy-7-(4-methoxyphenyl)sulfonyl-5,5-dimethyl-1,4,7-oxathiazonane-6-carboxamide
CID 10716217
4-(cyclohexanecarbonyl)-N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide
CID 10550304
N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(1,2-oxazole-5-carbonyl)piperazine-2-carboxamide
CID 10716486
N-hydroxy-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 4229
(3R)-N-hydroxy-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 10761128
4-acetyl-1-[4-(4-fluorophenoxy)phenyl]sulfonyl-N-hydroxypiperazine-2-carboxamide
CID 22592870
(3aS,4R,7R,7aR)-N,7-dihydroxy-5-(4-methoxyphenyl)sulfonyl-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine-4-carboxamide
CID 58866164
N-hydroxy-4-(4-methoxyphenyl)sulfonyl-1-(1-methylimidazol-4-yl)sulfonyl-1,4-diazepane-5-carboxamide
CID 21340801
(2R)-1-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxypiperazine-2-carboxamide
CID 18659875
(4R)-1-tert-butyl-N-hydroxy-3-(4-methoxyphenyl)sulfonyl-6-oxo-1,3-diazinane-4-carboxamide
CID 10362663

Frequently Asked Questions

What is the IUPAC name of (3R)-N-hydroxy-4-[4-(4-methoxyphenoxy)phenyl]sulfonylmorpholine-3-carboxamide?
The IUPAC name of (3R)-N-hydroxy-4-[4-(4-methoxyphenoxy)phenyl]sulfonylmorpholine-3-carboxamide (CID 18345614) is (3R)-N-hydroxy-4-[4-(4-methoxyphenoxy)phenyl]sulfonylmorpholine-3-carboxamide.
What is the SMILES notation for (3R)-N-hydroxy-4-[4-(4-methoxyphenoxy)phenyl]sulfonylmorpholine-3-carboxamide?
The canonical SMILES for (3R)-N-hydroxy-4-[4-(4-methoxyphenoxy)phenyl]sulfonylmorpholine-3-carboxamide is COc1ccc(Oc2ccc(S(=O)(=O)N3CCOC[C@@H]3C(=O)NO)cc2)cc1.
What is the InChIKey of (3R)-N-hydroxy-4-[4-(4-methoxyphenoxy)phenyl]sulfonylmorpholine-3-carboxamide?
The InChIKey is XCKAQSZAMVFIAJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H20N2O7S/c1-25-13-2-4-14(5-3-13)27-15-6-8-16(9-7-15)28(23,24)20-10-11-26-12-17(20)18(21)19-22/h2-9,17,22H,10-12H2,1H3,(H,19,21)/t17-/m1/s1.
What are the key properties of (3R)-N-hydroxy-4-[4-(4-methoxyphenoxy)phenyl]sulfonylmorpholine-3-carboxamide?
(3R)-N-hydroxy-4-[4-(4-methoxyphenoxy)phenyl]sulfonylmorpholine-3-carboxamide has a molecular weight of 408.43 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-hydroxy-4-[4-(4-methoxyphenoxy)phenyl]sulfonylmorpholine-3-carboxamide is sourced from PubChem (CID 18345614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).