(2E,4E)-N-hydroxy-5-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-4-methylpenta-2,4-dienamide

C19H20N2O5S — CID 11280685

IUPAC(2E,4E)-N-hydroxy-5-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-4-methylpenta-2,4-dienamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(/C=C(C)/C=C/C(=O)NO)cc2)cc1
InChIInChI=1S/C19H20N2O5S/c1-14(3-12-19(22)20-23)13-15-4-6-16(7-5-15)21-27(24,25)18-10-8-17(26-2)9-11-18/h3-13,21,23H,1-2H3,(H,20,22)/b12-3+,14-13+
InChIKeyLQVOPOOSNCJYEY-YQIFXAOGSA-N
MW388.45 g/mol
LogP2.96
Rot. Bonds7

About (2E,4E)-N-hydroxy-5-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-4-methylpenta-2,4-dienamide

(2E,4E)-N-hydroxy-5-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-4-methylpenta-2,4-dienamide (PubChem CID 11280685) has the molecular formula C19H20N2O5S and a molecular weight of 388.45 g/mol. Its IUPAC name is (2E,4E)-N-hydroxy-5-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-4-methylpenta-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-hydroxy-5-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-4-methylpenta-2,4-dienamide
PubChem CID11280685
Molecular FormulaC19H20N2O5S
Molecular Weight388.45 g/mol
Exact Mass388.11
IUPAC Name(2E,4E)-N-hydroxy-5-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-4-methylpenta-2,4-dienamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(/C=C(C)/C=C/C(=O)NO)cc2)cc1
InChIInChI=1S/C19H20N2O5S/c1-14(3-12-19(22)20-23)13-15-4-6-16(7-5-15)21-27(24,25)18-10-8-17(26-2)9-11-18/h3-13,21,23H,1-2H3,(H,20,22)/b12-3+,14-13+
InChIKeyLQVOPOOSNCJYEY-YQIFXAOGSA-N
XLogP2.96
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-Hydroxy-2-[(4-methoxy-benzenesulfonyl)-(4-nitro-benzyl)-amino]-acetamide
CID 10500886
N-Hydroxy-2-[(4-methoxy-benzenesulfonyl)-(4-nitro-benzyl)-amino]-propionamide
CID 23645536
(2E)-3-(3-(((4-Methoxyphenyl)sulfonyl)amino)phenyl)-2-propenoic acid
CID 805419
4-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 743974
NJ65Yjm5PE
CID 5353770
(E)-N-hydroxy-3-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 9902895
(E)-3-[3-[(3,4-dimethoxyphenyl)sulfamoyl]phenyl]-N-hydroxyprop-2-enamide
CID 9969900
(E)-N-hydroxy-3-[3-[[4-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]prop-2-enamide
CID 10111698
(E)-3-[3-[[4-(difluoromethoxy)phenyl]sulfamoyl]phenyl]-N-hydroxyprop-2-enamide
CID 10134605
N-Hydroxy-3-[4-(4-methoxy-benzenesulfonylamino)-phenyl]-acrylamide
CID 10247137
(E)-N-hydroxy-3-[3-[(3-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 10269218
(E)-N-hydroxy-5-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]pent-2-en-4-ynamide
CID 10339233

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-hydroxy-5-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-4-methylpenta-2,4-dienamide?
The IUPAC name of (2E,4E)-N-hydroxy-5-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-4-methylpenta-2,4-dienamide (CID 11280685) is (2E,4E)-N-hydroxy-5-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-4-methylpenta-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-hydroxy-5-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-4-methylpenta-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-hydroxy-5-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-4-methylpenta-2,4-dienamide is COc1ccc(S(=O)(=O)Nc2ccc(/C=C(C)/C=C/C(=O)NO)cc2)cc1.
What is the InChIKey of (2E,4E)-N-hydroxy-5-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-4-methylpenta-2,4-dienamide?
The InChIKey is LQVOPOOSNCJYEY-YQIFXAOGSA-N. The full InChI is InChI=1S/C19H20N2O5S/c1-14(3-12-19(22)20-23)13-15-4-6-16(7-5-15)21-27(24,25)18-10-8-17(26-2)9-11-18/h3-13,21,23H,1-2H3,(H,20,22)/b12-3+,14-13+.
What are the key properties of (2E,4E)-N-hydroxy-5-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-4-methylpenta-2,4-dienamide?
(2E,4E)-N-hydroxy-5-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-4-methylpenta-2,4-dienamide has a molecular weight of 388.45 g/mol, XLogP of 2.96, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-hydroxy-5-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-4-methylpenta-2,4-dienamide is sourced from PubChem (CID 11280685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).