N-hydroxy-3-(4-methoxyphenyl)sulfonyl-5-phenylpentanamide

C18H21NO5S — CID 10761206

IUPACN-hydroxy-3-(4-methoxyphenyl)sulfonyl-5-phenylpentanamide
SMILESCOc1ccc(S(=O)(=O)C(CCc2ccccc2)CC(=O)NO)cc1
InChIInChI=1S/C18H21NO5S/c1-24-15-8-11-16(12-9-15)25(22,23)17(13-18(20)19-21)10-7-14-5-3-2-4-6-14/h2-6,8-9,11-12,17,21H,7,10,13H2,1H3,(H,19,20)
InChIKeyFCCDGLDMUDUABZ-UHFFFAOYSA-N
MW363.44 g/mol
LogP2.37
Rot. Bonds8

About N-hydroxy-3-(4-methoxyphenyl)sulfonyl-5-phenylpentanamide

N-hydroxy-3-(4-methoxyphenyl)sulfonyl-5-phenylpentanamide (PubChem CID 10761206) has the molecular formula C18H21NO5S and a molecular weight of 363.44 g/mol. Its IUPAC name is N-hydroxy-3-(4-methoxyphenyl)sulfonyl-5-phenylpentanamide.

Molecular Properties

Compound NameN-hydroxy-3-(4-methoxyphenyl)sulfonyl-5-phenylpentanamide
PubChem CID10761206
Molecular FormulaC18H21NO5S
Molecular Weight363.44 g/mol
Exact Mass363.11
IUPAC NameN-hydroxy-3-(4-methoxyphenyl)sulfonyl-5-phenylpentanamide
SMILESCOc1ccc(S(=O)(=O)C(CCc2ccccc2)CC(=O)NO)cc1
InChIInChI=1S/C18H21NO5S/c1-24-15-8-11-16(12-9-15)25(22,23)17(13-18(20)19-21)10-7-14-5-3-2-4-6-14/h2-6,8-9,11-12,17,21H,7,10,13H2,1H3,(H,19,20)
InChIKeyFCCDGLDMUDUABZ-UHFFFAOYSA-N
XLogP2.37
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-3-(4-methoxyphenyl)sulfonyl-5-phenylpentanamide?
The IUPAC name of N-hydroxy-3-(4-methoxyphenyl)sulfonyl-5-phenylpentanamide (CID 10761206) is N-hydroxy-3-(4-methoxyphenyl)sulfonyl-5-phenylpentanamide.
What is the SMILES notation for N-hydroxy-3-(4-methoxyphenyl)sulfonyl-5-phenylpentanamide?
The canonical SMILES for N-hydroxy-3-(4-methoxyphenyl)sulfonyl-5-phenylpentanamide is COc1ccc(S(=O)(=O)C(CCc2ccccc2)CC(=O)NO)cc1.
What is the InChIKey of N-hydroxy-3-(4-methoxyphenyl)sulfonyl-5-phenylpentanamide?
The InChIKey is FCCDGLDMUDUABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO5S/c1-24-15-8-11-16(12-9-15)25(22,23)17(13-18(20)19-21)10-7-14-5-3-2-4-6-14/h2-6,8-9,11-12,17,21H,7,10,13H2,1H3,(H,19,20).
What are the key properties of N-hydroxy-3-(4-methoxyphenyl)sulfonyl-5-phenylpentanamide?
N-hydroxy-3-(4-methoxyphenyl)sulfonyl-5-phenylpentanamide has a molecular weight of 363.44 g/mol, XLogP of 2.37, 8 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-5-phenylpentanamide is sourced from PubChem (CID 10761206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).