N-hydroxy-3-(4-methoxyphenyl)sulfonyl-3-methyl-7-phenylheptanamide

C21H27NO5S — CID 10669027

IUPACN-hydroxy-3-(4-methoxyphenyl)sulfonyl-3-methyl-7-phenylheptanamide
SMILESCOc1ccc(S(=O)(=O)C(C)(CCCCc2ccccc2)CC(=O)NO)cc1
InChIInChI=1S/C21H27NO5S/c1-21(16-20(23)22-24,15-7-6-10-17-8-4-3-5-9-17)28(25,26)19-13-11-18(27-2)12-14-19/h3-5,8-9,11-14,24H,6-7,10,15-16H2,1-2H3,(H,22,23)
InChIKeyZTJKUSGWPHJXES-UHFFFAOYSA-N
MW405.52 g/mol
LogP3.54
Rot. Bonds10

About N-hydroxy-3-(4-methoxyphenyl)sulfonyl-3-methyl-7-phenylheptanamide

N-hydroxy-3-(4-methoxyphenyl)sulfonyl-3-methyl-7-phenylheptanamide (PubChem CID 10669027) has the molecular formula C21H27NO5S and a molecular weight of 405.52 g/mol. Its IUPAC name is N-hydroxy-3-(4-methoxyphenyl)sulfonyl-3-methyl-7-phenylheptanamide.

Molecular Properties

Compound NameN-hydroxy-3-(4-methoxyphenyl)sulfonyl-3-methyl-7-phenylheptanamide
PubChem CID10669027
Molecular FormulaC21H27NO5S
Molecular Weight405.52 g/mol
Exact Mass405.16
IUPAC NameN-hydroxy-3-(4-methoxyphenyl)sulfonyl-3-methyl-7-phenylheptanamide
SMILESCOc1ccc(S(=O)(=O)C(C)(CCCCc2ccccc2)CC(=O)NO)cc1
InChIInChI=1S/C21H27NO5S/c1-21(16-20(23)22-24,15-7-6-10-17-8-4-3-5-9-17)28(25,26)19-13-11-18(27-2)12-14-19/h3-5,8-9,11-14,24H,6-7,10,15-16H2,1-2H3,(H,22,23)
InChIKeyZTJKUSGWPHJXES-UHFFFAOYSA-N
XLogP3.54
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-(4-methoxyphenyl)sulfonyl-3-methyl-7-phenylheptanamide?
The IUPAC name of N-hydroxy-3-(4-methoxyphenyl)sulfonyl-3-methyl-7-phenylheptanamide (CID 10669027) is N-hydroxy-3-(4-methoxyphenyl)sulfonyl-3-methyl-7-phenylheptanamide.
What is the SMILES notation for N-hydroxy-3-(4-methoxyphenyl)sulfonyl-3-methyl-7-phenylheptanamide?
The canonical SMILES for N-hydroxy-3-(4-methoxyphenyl)sulfonyl-3-methyl-7-phenylheptanamide is COc1ccc(S(=O)(=O)C(C)(CCCCc2ccccc2)CC(=O)NO)cc1.
What is the InChIKey of N-hydroxy-3-(4-methoxyphenyl)sulfonyl-3-methyl-7-phenylheptanamide?
The InChIKey is ZTJKUSGWPHJXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO5S/c1-21(16-20(23)22-24,15-7-6-10-17-8-4-3-5-9-17)28(25,26)19-13-11-18(27-2)12-14-19/h3-5,8-9,11-14,24H,6-7,10,15-16H2,1-2H3,(H,22,23).
What are the key properties of N-hydroxy-3-(4-methoxyphenyl)sulfonyl-3-methyl-7-phenylheptanamide?
N-hydroxy-3-(4-methoxyphenyl)sulfonyl-3-methyl-7-phenylheptanamide has a molecular weight of 405.52 g/mol, XLogP of 3.54, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-(4-methoxyphenyl)sulfonyl-3-methyl-7-phenylheptanamide is sourced from PubChem (CID 10669027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).