N-hydroxy-3-[1-[4-[4-(3-morpholin-4-ylpropoxy)phenyl]phenyl]sulfonylpyrrol-3-yl]prop-2-enamide

C26H29N3O6S — CID 73215008

IUPACN-hydroxy-3-[1-[4-[4-(3-morpholin-4-ylpropoxy)phenyl]phenyl]sulfonylpyrrol-3-yl]prop-2-enamide
SMILESO=C(C=Cc1ccn(S(=O)(=O)c2ccc(-c3ccc(OCCCN4CCOCC4)cc3)cc2)c1)NO
InChIInChI=1S/C26H29N3O6S/c30-26(27-31)11-2-21-12-14-29(20-21)36(32,33)25-9-5-23(6-10-25)22-3-7-24(8-4-22)35-17-1-13-28-15-18-34-19-16-28/h2-12,14,20,31H,1,13,15-19H2,(H,27,30)
InChIKeyWIRFLQZYYUNPIA-UHFFFAOYSA-N
MW511.60 g/mol
LogP3.01
Rot. Bonds10

About N-hydroxy-3-[1-[4-[4-(3-morpholin-4-ylpropoxy)phenyl]phenyl]sulfonylpyrrol-3-yl]prop-2-enamide

N-hydroxy-3-[1-[4-[4-(3-morpholin-4-ylpropoxy)phenyl]phenyl]sulfonylpyrrol-3-yl]prop-2-enamide (PubChem CID 73215008) has the molecular formula C26H29N3O6S and a molecular weight of 511.60 g/mol. Its IUPAC name is N-hydroxy-3-[1-[4-[4-(3-morpholin-4-ylpropoxy)phenyl]phenyl]sulfonylpyrrol-3-yl]prop-2-enamide.

Molecular Properties

Compound NameN-hydroxy-3-[1-[4-[4-(3-morpholin-4-ylpropoxy)phenyl]phenyl]sulfonylpyrrol-3-yl]prop-2-enamide
PubChem CID73215008
Molecular FormulaC26H29N3O6S
Molecular Weight511.60 g/mol
Exact Mass511.18
IUPAC NameN-hydroxy-3-[1-[4-[4-(3-morpholin-4-ylpropoxy)phenyl]phenyl]sulfonylpyrrol-3-yl]prop-2-enamide
SMILESO=C(C=Cc1ccn(S(=O)(=O)c2ccc(-c3ccc(OCCCN4CCOCC4)cc3)cc2)c1)NO
InChIInChI=1S/C26H29N3O6S/c30-26(27-31)11-2-21-12-14-29(20-21)36(32,33)25-9-5-23(6-10-25)22-3-7-24(8-4-22)35-17-1-13-28-15-18-34-19-16-28/h2-12,14,20,31H,1,13,15-19H2,(H,27,30)
InChIKeyWIRFLQZYYUNPIA-UHFFFAOYSA-N
XLogP3.01
TPSA110.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.60
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', '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-[1-[4-[4-(3-morpholin-4-ylpropoxy)phenyl]phenyl]sulfonylpyrrol-3-yl]prop-2-enamide?
The IUPAC name of N-hydroxy-3-[1-[4-[4-(3-morpholin-4-ylpropoxy)phenyl]phenyl]sulfonylpyrrol-3-yl]prop-2-enamide (CID 73215008) is N-hydroxy-3-[1-[4-[4-(3-morpholin-4-ylpropoxy)phenyl]phenyl]sulfonylpyrrol-3-yl]prop-2-enamide.
What is the SMILES notation for N-hydroxy-3-[1-[4-[4-(3-morpholin-4-ylpropoxy)phenyl]phenyl]sulfonylpyrrol-3-yl]prop-2-enamide?
The canonical SMILES for N-hydroxy-3-[1-[4-[4-(3-morpholin-4-ylpropoxy)phenyl]phenyl]sulfonylpyrrol-3-yl]prop-2-enamide is O=C(C=Cc1ccn(S(=O)(=O)c2ccc(-c3ccc(OCCCN4CCOCC4)cc3)cc2)c1)NO.
What is the InChIKey of N-hydroxy-3-[1-[4-[4-(3-morpholin-4-ylpropoxy)phenyl]phenyl]sulfonylpyrrol-3-yl]prop-2-enamide?
The InChIKey is WIRFLQZYYUNPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O6S/c30-26(27-31)11-2-21-12-14-29(20-21)36(32,33)25-9-5-23(6-10-25)22-3-7-24(8-4-22)35-17-1-13-28-15-18-34-19-16-28/h2-12,14,20,31H,1,13,15-19H2,(H,27,30).
What are the key properties of N-hydroxy-3-[1-[4-[4-(3-morpholin-4-ylpropoxy)phenyl]phenyl]sulfonylpyrrol-3-yl]prop-2-enamide?
N-hydroxy-3-[1-[4-[4-(3-morpholin-4-ylpropoxy)phenyl]phenyl]sulfonylpyrrol-3-yl]prop-2-enamide has a molecular weight of 511.60 g/mol, XLogP of 3.01, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[1-[4-[4-(3-morpholin-4-ylpropoxy)phenyl]phenyl]sulfonylpyrrol-3-yl]prop-2-enamide is sourced from PubChem (CID 73215008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).