(E)-N-hydroxy-3-[1-(2-methoxy-6-phenylphenyl)sulfonylpyrrol-3-yl]prop-2-enamide

C20H18N2O5S — CID 154636018

IUPAC(E)-N-hydroxy-3-[1-(2-methoxy-6-phenylphenyl)sulfonylpyrrol-3-yl]prop-2-enamide
SMILESCOc1cccc(-c2ccccc2)c1S(=O)(=O)n1ccc(/C=C/C(=O)NO)c1
InChIInChI=1S/C20H18N2O5S/c1-27-18-9-5-8-17(16-6-3-2-4-7-16)20(18)28(25,26)22-13-12-15(14-22)10-11-19(23)21-24/h2-14,24H,1H3,(H,21,23)/b11-10+
InChIKeyXFWYSSFYPIICLX-ZHACJKMWSA-N
MW398.44 g/mol
LogP2.92
Rot. Bonds6

About (E)-N-hydroxy-3-[1-(2-methoxy-6-phenylphenyl)sulfonylpyrrol-3-yl]prop-2-enamide

(E)-N-hydroxy-3-[1-(2-methoxy-6-phenylphenyl)sulfonylpyrrol-3-yl]prop-2-enamide (PubChem CID 154636018) has the molecular formula C20H18N2O5S and a molecular weight of 398.44 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[1-(2-methoxy-6-phenylphenyl)sulfonylpyrrol-3-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[1-(2-methoxy-6-phenylphenyl)sulfonylpyrrol-3-yl]prop-2-enamide
PubChem CID154636018
Molecular FormulaC20H18N2O5S
Molecular Weight398.44 g/mol
Exact Mass398.09
IUPAC Name(E)-N-hydroxy-3-[1-(2-methoxy-6-phenylphenyl)sulfonylpyrrol-3-yl]prop-2-enamide
SMILESCOc1cccc(-c2ccccc2)c1S(=O)(=O)n1ccc(/C=C/C(=O)NO)c1
InChIInChI=1S/C20H18N2O5S/c1-27-18-9-5-8-17(16-6-3-2-4-7-16)20(18)28(25,26)22-13-12-15(14-22)10-11-19(23)21-24/h2-14,24H,1H3,(H,21,23)/b11-10+
InChIKeyXFWYSSFYPIICLX-ZHACJKMWSA-N
XLogP2.92
TPSA97.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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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Related Compounds

(E)-N-hydroxy-3-[1-[2-phenyl-6-(2-pyrrolidin-1-ylethoxy)phenyl]sulfonylpyrrol-3-yl]prop-2-enamide
CID 154636041
(E)-3-[1-(2-acetamido-6-phenylphenyl)sulfonylpyrrol-3-yl]-N-(2-aminophenyl)prop-2-enamide
CID 154636029
(E)-N-(2-aminophenyl)-3-[1-[2-(methanesulfonamido)-6-phenylphenyl]sulfonylpyrrol-3-yl]prop-2-enamide
CID 155677008
(E)-N-hydroxy-3-[1-[4-(6-methoxy-3-pyridinyl)phenyl]sulfonylpyrrol-3-yl]prop-2-enamide
CID 15985847
(E)-N-hydroxy-3-[1-[4-[3-(methylsulfanylamino)phenyl]phenyl]sulfonylpyrrol-3-yl]prop-2-enamide
CID 87584838
(E)-N-hydroxy-3-[1-[2-[3-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]phenyl]sulfonylpyrrol-3-yl]prop-2-enamide
CID 87525227
(E)-N-hydroxy-3-[1-[2-[(4-methylpiperazin-1-yl)methyl]-5-phenylphenyl]sulfonylpyrrol-3-yl]prop-2-enamide
CID 87485473
(E)-N-hydroxy-3-[1-[2-(3-morpholin-4-ylpropoxy)-5-phenylphenyl]sulfonylpyrrol-3-yl]prop-2-enamide
CID 87524728
N-hydroxy-3-[1-[4-(1-methylpyrazol-3-yl)phenyl]sulfonylpyrrol-3-yl]prop-2-enamide
CID 91141363
N-hydroxy-3-(2-methoxyphenyl)prop-2-enamide
CID 123173944
tert-butyl 3-[1-(4-phenylphenyl)sulfonylpyrrol-3-yl]prop-2-enoate
CID 66646173
(E)-N-(2-phenylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 7929957

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[1-(2-methoxy-6-phenylphenyl)sulfonylpyrrol-3-yl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[1-(2-methoxy-6-phenylphenyl)sulfonylpyrrol-3-yl]prop-2-enamide (CID 154636018) is (E)-N-hydroxy-3-[1-(2-methoxy-6-phenylphenyl)sulfonylpyrrol-3-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[1-(2-methoxy-6-phenylphenyl)sulfonylpyrrol-3-yl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[1-(2-methoxy-6-phenylphenyl)sulfonylpyrrol-3-yl]prop-2-enamide is COc1cccc(-c2ccccc2)c1S(=O)(=O)n1ccc(/C=C/C(=O)NO)c1.
What is the InChIKey of (E)-N-hydroxy-3-[1-(2-methoxy-6-phenylphenyl)sulfonylpyrrol-3-yl]prop-2-enamide?
The InChIKey is XFWYSSFYPIICLX-ZHACJKMWSA-N. The full InChI is InChI=1S/C20H18N2O5S/c1-27-18-9-5-8-17(16-6-3-2-4-7-16)20(18)28(25,26)22-13-12-15(14-22)10-11-19(23)21-24/h2-14,24H,1H3,(H,21,23)/b11-10+.
What are the key properties of (E)-N-hydroxy-3-[1-(2-methoxy-6-phenylphenyl)sulfonylpyrrol-3-yl]prop-2-enamide?
(E)-N-hydroxy-3-[1-(2-methoxy-6-phenylphenyl)sulfonylpyrrol-3-yl]prop-2-enamide has a molecular weight of 398.44 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[1-(2-methoxy-6-phenylphenyl)sulfonylpyrrol-3-yl]prop-2-enamide is sourced from PubChem (CID 154636018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).