N-hydroxy-4-[4-[4-(4-methoxyphenoxy)butoxy]phenyl]sulfonyloxane-4-carboxamide

C23H29NO8S — CID 20620688

IUPACN-hydroxy-4-[4-[4-(4-methoxyphenoxy)butoxy]phenyl]sulfonyloxane-4-carboxamide
SMILESCOc1ccc(OCCCCOc2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)cc1
InChIInChI=1S/C23H29NO8S/c1-29-18-4-6-19(7-5-18)31-14-2-3-15-32-20-8-10-21(11-9-20)33(27,28)23(22(25)24-26)12-16-30-17-13-23/h4-11,26H,2-3,12-17H2,1H3,(H,24,25)
InChIKeyDLMROZSTEBHAOO-UHFFFAOYSA-N
MW479.55 g/mol
LogP2.76
Rot. Bonds11

About N-hydroxy-4-[4-[4-(4-methoxyphenoxy)butoxy]phenyl]sulfonyloxane-4-carboxamide

N-hydroxy-4-[4-[4-(4-methoxyphenoxy)butoxy]phenyl]sulfonyloxane-4-carboxamide (PubChem CID 20620688) has the molecular formula C23H29NO8S and a molecular weight of 479.55 g/mol. Its IUPAC name is N-hydroxy-4-[4-[4-(4-methoxyphenoxy)butoxy]phenyl]sulfonyloxane-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[4-[4-(4-methoxyphenoxy)butoxy]phenyl]sulfonyloxane-4-carboxamide
PubChem CID20620688
Molecular FormulaC23H29NO8S
Molecular Weight479.55 g/mol
Exact Mass479.16
IUPAC NameN-hydroxy-4-[4-[4-(4-methoxyphenoxy)butoxy]phenyl]sulfonyloxane-4-carboxamide
SMILESCOc1ccc(OCCCCOc2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)cc1
InChIInChI=1S/C23H29NO8S/c1-29-18-4-6-19(7-5-18)31-14-2-3-15-32-20-8-10-21(11-9-20)33(27,28)23(22(25)24-26)12-16-30-17-13-23/h4-11,26H,2-3,12-17H2,1H3,(H,24,25)
InChIKeyDLMROZSTEBHAOO-UHFFFAOYSA-N
XLogP2.76
TPSA120.39 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.55
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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Related Compounds

Cts-1027
CID 3342298
N-hydroxy-4-((4-(4-(trifluoromethyl)phenoxy)phenyl)sulfonyl)tetrahydro-2H-pyran-4-carboxamide
CID 9933197
N-hydroxy-1-(2-methoxyethyl)-4-((4-(4-(trifluoromethoxy)phenoxy)phenyl)sulfonyl)piperidine-4-carboxamide
CID 9892815
alpha-Sulfone 21
CID 9822926
N-Hydroxy-2-(4-(4-phenoxy-benzenesulfonyl)-tetrahydro-pyran-4-YL)-acetamide
CID 4369
N-Hydroxy-2-methyl-2-[(4-phenoxyphenyl)sulfonyl]-propanamide
CID 11530109
alpha-Sulfone 27d
CID 11532912
alpha-Sulfone 27c
CID 11589973
alpha-Sulfone 27h
CID 11619415
alpha-Sulfone 27i
CID 11620133
N-hydroxy-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonyloxane-4-carboxamide
CID 9847113
4-(4-butoxyphenylsulfonyl)-N-hydroxy-1-(3-phenoxypropyl)piperidine-4-carboxamide
CID 9913489

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[4-[4-(4-methoxyphenoxy)butoxy]phenyl]sulfonyloxane-4-carboxamide?
The IUPAC name of N-hydroxy-4-[4-[4-(4-methoxyphenoxy)butoxy]phenyl]sulfonyloxane-4-carboxamide (CID 20620688) is N-hydroxy-4-[4-[4-(4-methoxyphenoxy)butoxy]phenyl]sulfonyloxane-4-carboxamide.
What is the SMILES notation for N-hydroxy-4-[4-[4-(4-methoxyphenoxy)butoxy]phenyl]sulfonyloxane-4-carboxamide?
The canonical SMILES for N-hydroxy-4-[4-[4-(4-methoxyphenoxy)butoxy]phenyl]sulfonyloxane-4-carboxamide is COc1ccc(OCCCCOc2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)cc1.
What is the InChIKey of N-hydroxy-4-[4-[4-(4-methoxyphenoxy)butoxy]phenyl]sulfonyloxane-4-carboxamide?
The InChIKey is DLMROZSTEBHAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO8S/c1-29-18-4-6-19(7-5-18)31-14-2-3-15-32-20-8-10-21(11-9-20)33(27,28)23(22(25)24-26)12-16-30-17-13-23/h4-11,26H,2-3,12-17H2,1H3,(H,24,25).
What are the key properties of N-hydroxy-4-[4-[4-(4-methoxyphenoxy)butoxy]phenyl]sulfonyloxane-4-carboxamide?
N-hydroxy-4-[4-[4-(4-methoxyphenoxy)butoxy]phenyl]sulfonyloxane-4-carboxamide has a molecular weight of 479.55 g/mol, XLogP of 2.76, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[4-[4-(4-methoxyphenoxy)butoxy]phenyl]sulfonyloxane-4-carboxamide is sourced from PubChem (CID 20620688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).