N-hydroxy-4-phenyl-3-[4-[(E)-2-phenylethenyl]phenyl]sulfonylbutanamide

C24H23NO4S — CID 21224191

IUPACN-hydroxy-4-phenyl-3-[4-[(E)-2-phenylethenyl]phenyl]sulfonylbutanamide
SMILESO=C(CC(Cc1ccccc1)S(=O)(=O)c1ccc(/C=C/c2ccccc2)cc1)NO
InChIInChI=1S/C24H23NO4S/c26-24(25-27)18-23(17-21-9-5-2-6-10-21)30(28,29)22-15-13-20(14-16-22)12-11-19-7-3-1-4-8-19/h1-16,23,27H,17-18H2,(H,25,26)/b12-11+
InChIKeyGARSIHKWJGICCR-VAWYXSNFSA-N
MW421.52 g/mol
LogP4.14
Rot. Bonds8

About N-hydroxy-4-phenyl-3-[4-[(E)-2-phenylethenyl]phenyl]sulfonylbutanamide

N-hydroxy-4-phenyl-3-[4-[(E)-2-phenylethenyl]phenyl]sulfonylbutanamide (PubChem CID 21224191) has the molecular formula C24H23NO4S and a molecular weight of 421.52 g/mol. Its IUPAC name is N-hydroxy-4-phenyl-3-[4-[(E)-2-phenylethenyl]phenyl]sulfonylbutanamide.

Molecular Properties

Compound NameN-hydroxy-4-phenyl-3-[4-[(E)-2-phenylethenyl]phenyl]sulfonylbutanamide
PubChem CID21224191
Molecular FormulaC24H23NO4S
Molecular Weight421.52 g/mol
Exact Mass421.13
IUPAC NameN-hydroxy-4-phenyl-3-[4-[(E)-2-phenylethenyl]phenyl]sulfonylbutanamide
SMILESO=C(CC(Cc1ccccc1)S(=O)(=O)c1ccc(/C=C/c2ccccc2)cc1)NO
InChIInChI=1S/C24H23NO4S/c26-24(25-27)18-23(17-21-9-5-2-6-10-21)30(28,29)22-15-13-20(14-16-22)12-11-19-7-3-1-4-8-19/h1-16,23,27H,17-18H2,(H,25,26)/b12-11+
InChIKeyGARSIHKWJGICCR-VAWYXSNFSA-N
XLogP4.14
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-phenyl-3-[4-[(E)-2-phenylethenyl]phenyl]sulfonylbutanamide?
The IUPAC name of N-hydroxy-4-phenyl-3-[4-[(E)-2-phenylethenyl]phenyl]sulfonylbutanamide (CID 21224191) is N-hydroxy-4-phenyl-3-[4-[(E)-2-phenylethenyl]phenyl]sulfonylbutanamide.
What is the SMILES notation for N-hydroxy-4-phenyl-3-[4-[(E)-2-phenylethenyl]phenyl]sulfonylbutanamide?
The canonical SMILES for N-hydroxy-4-phenyl-3-[4-[(E)-2-phenylethenyl]phenyl]sulfonylbutanamide is O=C(CC(Cc1ccccc1)S(=O)(=O)c1ccc(/C=C/c2ccccc2)cc1)NO.
What is the InChIKey of N-hydroxy-4-phenyl-3-[4-[(E)-2-phenylethenyl]phenyl]sulfonylbutanamide?
The InChIKey is GARSIHKWJGICCR-VAWYXSNFSA-N. The full InChI is InChI=1S/C24H23NO4S/c26-24(25-27)18-23(17-21-9-5-2-6-10-21)30(28,29)22-15-13-20(14-16-22)12-11-19-7-3-1-4-8-19/h1-16,23,27H,17-18H2,(H,25,26)/b12-11+.
What are the key properties of N-hydroxy-4-phenyl-3-[4-[(E)-2-phenylethenyl]phenyl]sulfonylbutanamide?
N-hydroxy-4-phenyl-3-[4-[(E)-2-phenylethenyl]phenyl]sulfonylbutanamide has a molecular weight of 421.52 g/mol, XLogP of 4.14, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-phenyl-3-[4-[(E)-2-phenylethenyl]phenyl]sulfonylbutanamide is sourced from PubChem (CID 21224191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).