N-hydroxy-7-[3-[4-methoxy-3-(2-pyridin-2-ylethoxy)phenyl]sulfonylphenyl]heptanamide

C27H32N2O6S — CID 54046907

IUPACN-hydroxy-7-[3-[4-methoxy-3-(2-pyridin-2-ylethoxy)phenyl]sulfonylphenyl]heptanamide
SMILESCOc1ccc(S(=O)(=O)c2cccc(CCCCCCC(=O)NO)c2)cc1OCCc1ccccn1
InChIInChI=1S/C27H32N2O6S/c1-34-25-15-14-24(20-26(25)35-18-16-22-11-6-7-17-28-22)36(32,33)23-12-8-10-21(19-23)9-4-2-3-5-13-27(30)29-31/h6-8,10-12,14-15,17,19-20,31H,2-5,9,13,16,18H2,1H3,(H,29,30)
InChIKeyLQFCICYONVDBEG-UHFFFAOYSA-N
MW512.63 g/mol
LogP4.54
Rot. Bonds14

About N-hydroxy-7-[3-[4-methoxy-3-(2-pyridin-2-ylethoxy)phenyl]sulfonylphenyl]heptanamide

N-hydroxy-7-[3-[4-methoxy-3-(2-pyridin-2-ylethoxy)phenyl]sulfonylphenyl]heptanamide (PubChem CID 54046907) has the molecular formula C27H32N2O6S and a molecular weight of 512.63 g/mol. Its IUPAC name is N-hydroxy-7-[3-[4-methoxy-3-(2-pyridin-2-ylethoxy)phenyl]sulfonylphenyl]heptanamide.

Molecular Properties

Compound NameN-hydroxy-7-[3-[4-methoxy-3-(2-pyridin-2-ylethoxy)phenyl]sulfonylphenyl]heptanamide
PubChem CID54046907
Molecular FormulaC27H32N2O6S
Molecular Weight512.63 g/mol
Exact Mass512.20
IUPAC NameN-hydroxy-7-[3-[4-methoxy-3-(2-pyridin-2-ylethoxy)phenyl]sulfonylphenyl]heptanamide
SMILESCOc1ccc(S(=O)(=O)c2cccc(CCCCCCC(=O)NO)c2)cc1OCCc1ccccn1
InChIInChI=1S/C27H32N2O6S/c1-34-25-15-14-24(20-26(25)35-18-16-22-11-6-7-17-28-22)36(32,33)23-12-8-10-21(19-23)9-4-2-3-5-13-27(30)29-31/h6-8,10-12,14-15,17,19-20,31H,2-5,9,13,16,18H2,1H3,(H,29,30)
InChIKeyLQFCICYONVDBEG-UHFFFAOYSA-N
XLogP4.54
TPSA114.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.63
LogP ≤ 54.54
H-Bond Donors ≤ 52
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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Related Compounds

4-(3,4-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)butanamide
CID 110410541
N-hydroxy-8-(3-methoxyphenyl)octanamide
CID 155529506
methyl (2R)-2-[[9-(hydroxyamino)-9-oxononanoyl]amino]-3-pyridin-2-ylpropanoate
CID 25225123
3-bromo-4-(2-pyridin-2-ylethoxy)benzenesulfonamide
CID 82921694
methyl 7-(3-chlorosulfonylphenyl)heptanoate
CID 134247439
5-[3-(pyridin-2-ylmethoxy)phenyl]pentanoic acid
CID 139922111
N-(3-chloro-4-methoxyphenyl)-3-pyridin-2-ylpropanamide
CID 47468190
1-(5-chloro-2-methoxyphenyl)-4-pyridin-2-ylbutan-2-one
CID 105090970
7-[(4-butylphenyl)sulfonyl-pyridin-2-ylamino]-N-hydroxyheptanamide
CID 141300682
2-[2-[4-(chloromethyl)-2,6-dimethoxyphenoxy]ethyl]pyridine
CID 60891470
2-[2-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino]-N-(pyridin-2-ylmethyl)acetamide
CID 22304785
N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 42701827

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-7-[3-[4-methoxy-3-(2-pyridin-2-ylethoxy)phenyl]sulfonylphenyl]heptanamide?
The IUPAC name of N-hydroxy-7-[3-[4-methoxy-3-(2-pyridin-2-ylethoxy)phenyl]sulfonylphenyl]heptanamide (CID 54046907) is N-hydroxy-7-[3-[4-methoxy-3-(2-pyridin-2-ylethoxy)phenyl]sulfonylphenyl]heptanamide.
What is the SMILES notation for N-hydroxy-7-[3-[4-methoxy-3-(2-pyridin-2-ylethoxy)phenyl]sulfonylphenyl]heptanamide?
The canonical SMILES for N-hydroxy-7-[3-[4-methoxy-3-(2-pyridin-2-ylethoxy)phenyl]sulfonylphenyl]heptanamide is COc1ccc(S(=O)(=O)c2cccc(CCCCCCC(=O)NO)c2)cc1OCCc1ccccn1.
What is the InChIKey of N-hydroxy-7-[3-[4-methoxy-3-(2-pyridin-2-ylethoxy)phenyl]sulfonylphenyl]heptanamide?
The InChIKey is LQFCICYONVDBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O6S/c1-34-25-15-14-24(20-26(25)35-18-16-22-11-6-7-17-28-22)36(32,33)23-12-8-10-21(19-23)9-4-2-3-5-13-27(30)29-31/h6-8,10-12,14-15,17,19-20,31H,2-5,9,13,16,18H2,1H3,(H,29,30).
What are the key properties of N-hydroxy-7-[3-[4-methoxy-3-(2-pyridin-2-ylethoxy)phenyl]sulfonylphenyl]heptanamide?
N-hydroxy-7-[3-[4-methoxy-3-(2-pyridin-2-ylethoxy)phenyl]sulfonylphenyl]heptanamide has a molecular weight of 512.63 g/mol, XLogP of 4.54, 14 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-7-[3-[4-methoxy-3-(2-pyridin-2-ylethoxy)phenyl]sulfonylphenyl]heptanamide is sourced from PubChem (CID 54046907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).