N-hydroxy-2-(4-methoxyphenyl)sulfonyl-5-methyl-2-(3-methylbut-2-enyl)hex-4-enamide

C19H27NO5S — CID 11825105

IUPACN-hydroxy-2-(4-methoxyphenyl)sulfonyl-5-methyl-2-(3-methylbut-2-enyl)hex-4-enamide
SMILESCOc1ccc(S(=O)(=O)C(CC=C(C)C)(CC=C(C)C)C(=O)NO)cc1
InChIInChI=1S/C19H27NO5S/c1-14(2)10-12-19(18(21)20-22,13-11-15(3)4)26(23,24)17-8-6-16(25-5)7-9-17/h6-11,22H,12-13H2,1-5H3,(H,20,21)
InChIKeyXGMBTNMILCXDFB-UHFFFAOYSA-N
MW381.49 g/mol
LogP3.43
Rot. Bonds8

About N-hydroxy-2-(4-methoxyphenyl)sulfonyl-5-methyl-2-(3-methylbut-2-enyl)hex-4-enamide

N-hydroxy-2-(4-methoxyphenyl)sulfonyl-5-methyl-2-(3-methylbut-2-enyl)hex-4-enamide (PubChem CID 11825105) has the molecular formula C19H27NO5S and a molecular weight of 381.49 g/mol. Its IUPAC name is N-hydroxy-2-(4-methoxyphenyl)sulfonyl-5-methyl-2-(3-methylbut-2-enyl)hex-4-enamide.

Molecular Properties

Compound NameN-hydroxy-2-(4-methoxyphenyl)sulfonyl-5-methyl-2-(3-methylbut-2-enyl)hex-4-enamide
PubChem CID11825105
Molecular FormulaC19H27NO5S
Molecular Weight381.49 g/mol
Exact Mass381.16
IUPAC NameN-hydroxy-2-(4-methoxyphenyl)sulfonyl-5-methyl-2-(3-methylbut-2-enyl)hex-4-enamide
SMILESCOc1ccc(S(=O)(=O)C(CC=C(C)C)(CC=C(C)C)C(=O)NO)cc1
InChIInChI=1S/C19H27NO5S/c1-14(2)10-12-19(18(21)20-22,13-11-15(3)4)26(23,24)17-8-6-16(25-5)7-9-17/h6-11,22H,12-13H2,1-5H3,(H,20,21)
InChIKeyXGMBTNMILCXDFB-UHFFFAOYSA-N
XLogP3.43
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.49
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-(3-methylbut-2-enyl)hex-4-enamide?
The IUPAC name of N-hydroxy-2-(4-methoxyphenyl)sulfonyl-5-methyl-2-(3-methylbut-2-enyl)hex-4-enamide (CID 11825105) is N-hydroxy-2-(4-methoxyphenyl)sulfonyl-5-methyl-2-(3-methylbut-2-enyl)hex-4-enamide.
What is the SMILES notation for N-hydroxy-2-(4-methoxyphenyl)sulfonyl-5-methyl-2-(3-methylbut-2-enyl)hex-4-enamide?
The canonical SMILES for N-hydroxy-2-(4-methoxyphenyl)sulfonyl-5-methyl-2-(3-methylbut-2-enyl)hex-4-enamide is COc1ccc(S(=O)(=O)C(CC=C(C)C)(CC=C(C)C)C(=O)NO)cc1.
What is the InChIKey of N-hydroxy-2-(4-methoxyphenyl)sulfonyl-5-methyl-2-(3-methylbut-2-enyl)hex-4-enamide?
The InChIKey is XGMBTNMILCXDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO5S/c1-14(2)10-12-19(18(21)20-22,13-11-15(3)4)26(23,24)17-8-6-16(25-5)7-9-17/h6-11,22H,12-13H2,1-5H3,(H,20,21).
What are the key properties of N-hydroxy-2-(4-methoxyphenyl)sulfonyl-5-methyl-2-(3-methylbut-2-enyl)hex-4-enamide?
N-hydroxy-2-(4-methoxyphenyl)sulfonyl-5-methyl-2-(3-methylbut-2-enyl)hex-4-enamide has a molecular weight of 381.49 g/mol, XLogP of 3.43, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-(4-methoxyphenyl)sulfonyl-5-methyl-2-(3-methylbut-2-enyl)hex-4-enamide is sourced from PubChem (CID 11825105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).