N-hydroxy-2-(4-methoxyphenyl)sulfonyl-5-methyl-2-(pyridin-3-ylmethyl)hexanamide

C20H26N2O5S — CID 10294766

IUPACN-hydroxy-2-(4-methoxyphenyl)sulfonyl-5-methyl-2-(pyridin-3-ylmethyl)hexanamide
SMILESCOc1ccc(S(=O)(=O)C(CCC(C)C)(Cc2cccnc2)C(=O)NO)cc1
InChIInChI=1S/C20H26N2O5S/c1-15(2)10-11-20(19(23)22-24,13-16-5-4-12-21-14-16)28(25,26)18-8-6-17(27-3)7-9-18/h4-9,12,14-15,24H,10-11,13H2,1-3H3,(H,22,23)
InChIKeyJGDVFBCMNUSQQW-UHFFFAOYSA-N
MW406.50 g/mol
LogP2.79
Rot. Bonds9

About N-hydroxy-2-(4-methoxyphenyl)sulfonyl-5-methyl-2-(pyridin-3-ylmethyl)hexanamide

N-hydroxy-2-(4-methoxyphenyl)sulfonyl-5-methyl-2-(pyridin-3-ylmethyl)hexanamide (PubChem CID 10294766) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is N-hydroxy-2-(4-methoxyphenyl)sulfonyl-5-methyl-2-(pyridin-3-ylmethyl)hexanamide.

Molecular Properties

Compound NameN-hydroxy-2-(4-methoxyphenyl)sulfonyl-5-methyl-2-(pyridin-3-ylmethyl)hexanamide
PubChem CID10294766
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC NameN-hydroxy-2-(4-methoxyphenyl)sulfonyl-5-methyl-2-(pyridin-3-ylmethyl)hexanamide
SMILESCOc1ccc(S(=O)(=O)C(CCC(C)C)(Cc2cccnc2)C(=O)NO)cc1
InChIInChI=1S/C20H26N2O5S/c1-15(2)10-11-20(19(23)22-24,13-16-5-4-12-21-14-16)28(25,26)18-8-6-17(27-3)7-9-18/h4-9,12,14-15,24H,10-11,13H2,1-3H3,(H,22,23)
InChIKeyJGDVFBCMNUSQQW-UHFFFAOYSA-N
XLogP2.79
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-(4-methoxyphenyl)sulfonyl-5-methyl-2-(pyridin-3-ylmethyl)hexanamide?
The IUPAC name of N-hydroxy-2-(4-methoxyphenyl)sulfonyl-5-methyl-2-(pyridin-3-ylmethyl)hexanamide (CID 10294766) is N-hydroxy-2-(4-methoxyphenyl)sulfonyl-5-methyl-2-(pyridin-3-ylmethyl)hexanamide.
What is the SMILES notation for N-hydroxy-2-(4-methoxyphenyl)sulfonyl-5-methyl-2-(pyridin-3-ylmethyl)hexanamide?
The canonical SMILES for N-hydroxy-2-(4-methoxyphenyl)sulfonyl-5-methyl-2-(pyridin-3-ylmethyl)hexanamide is COc1ccc(S(=O)(=O)C(CCC(C)C)(Cc2cccnc2)C(=O)NO)cc1.
What is the InChIKey of N-hydroxy-2-(4-methoxyphenyl)sulfonyl-5-methyl-2-(pyridin-3-ylmethyl)hexanamide?
The InChIKey is JGDVFBCMNUSQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5S/c1-15(2)10-11-20(19(23)22-24,13-16-5-4-12-21-14-16)28(25,26)18-8-6-17(27-3)7-9-18/h4-9,12,14-15,24H,10-11,13H2,1-3H3,(H,22,23).
What are the key properties of N-hydroxy-2-(4-methoxyphenyl)sulfonyl-5-methyl-2-(pyridin-3-ylmethyl)hexanamide?
N-hydroxy-2-(4-methoxyphenyl)sulfonyl-5-methyl-2-(pyridin-3-ylmethyl)hexanamide has a molecular weight of 406.50 g/mol, XLogP of 2.79, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-(4-methoxyphenyl)sulfonyl-5-methyl-2-(pyridin-3-ylmethyl)hexanamide is sourced from PubChem (CID 10294766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).