N-hydroxy-3-[1-[[4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]-6-oxo-2,3-dihydropyridin-5-yl]propanamide

C22H25N3O5S — CID 11430672

IUPACN-hydroxy-3-[1-[[4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]-6-oxo-2,3-dihydropyridin-5-yl]propanamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(CN3CCC=C(CCC(=O)NO)C3=O)cc2)cc1
InChIInChI=1S/C22H25N3O5S/c1-16-4-11-20(12-5-16)31(29,30)24-19-9-6-17(7-10-19)15-25-14-2-3-18(22(25)27)8-13-21(26)23-28/h3-7,9-12,24,28H,2,8,13-15H2,1H3,(H,23,26)
InChIKeyYKAMAXPMUZNLTJ-UHFFFAOYSA-N
MW443.53 g/mol
LogP2.74
Rot. Bonds8

About N-hydroxy-3-[1-[[4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]-6-oxo-2,3-dihydropyridin-5-yl]propanamide

N-hydroxy-3-[1-[[4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]-6-oxo-2,3-dihydropyridin-5-yl]propanamide (PubChem CID 11430672) has the molecular formula C22H25N3O5S and a molecular weight of 443.53 g/mol. Its IUPAC name is N-hydroxy-3-[1-[[4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]-6-oxo-2,3-dihydropyridin-5-yl]propanamide.

Molecular Properties

Compound NameN-hydroxy-3-[1-[[4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]-6-oxo-2,3-dihydropyridin-5-yl]propanamide
PubChem CID11430672
Molecular FormulaC22H25N3O5S
Molecular Weight443.53 g/mol
Exact Mass443.15
IUPAC NameN-hydroxy-3-[1-[[4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]-6-oxo-2,3-dihydropyridin-5-yl]propanamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(CN3CCC=C(CCC(=O)NO)C3=O)cc2)cc1
InChIInChI=1S/C22H25N3O5S/c1-16-4-11-20(12-5-16)31(29,30)24-19-9-6-17(7-10-19)15-25-14-2-3-18(22(25)27)8-13-21(26)23-28/h3-7,9-12,24,28H,2,8,13-15H2,1H3,(H,23,26)
InChIKeyYKAMAXPMUZNLTJ-UHFFFAOYSA-N
XLogP2.74
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 52.74
H-Bond Donors ≤ 53
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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Related Compounds

3-[4-[(4-methylphenyl)sulfamoyl]phenyl]-N-propan-2-ylpropanamide
CID 126356786
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzamide
CID 92683297
4-[2-[4-[(4-methylphenyl)sulfonylamino]phenyl]ethyl]benzoic acid
CID 68689392
N-(3-methylphenyl)-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide
CID 126363159
4-[(4-methylphenyl)sulfonylamino]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 46767206
N-(3-bromophenyl)-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide
CID 126367263
N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-methylbenzenesulfonamide
CID 22205094
N-(4-methylphenyl)-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 3611644
4-[3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanoylamino]benzamide
CID 126368002
N-[4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)phenyl]-4-methylbenzenesulfonamide
CID 42869133
3-chloro-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide
CID 94830981
3-[4-[(4-methylphenyl)sulfamoyl]phenyl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 2234602

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-[1-[[4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]-6-oxo-2,3-dihydropyridin-5-yl]propanamide?
The IUPAC name of N-hydroxy-3-[1-[[4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]-6-oxo-2,3-dihydropyridin-5-yl]propanamide (CID 11430672) is N-hydroxy-3-[1-[[4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]-6-oxo-2,3-dihydropyridin-5-yl]propanamide.
What is the SMILES notation for N-hydroxy-3-[1-[[4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]-6-oxo-2,3-dihydropyridin-5-yl]propanamide?
The canonical SMILES for N-hydroxy-3-[1-[[4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]-6-oxo-2,3-dihydropyridin-5-yl]propanamide is Cc1ccc(S(=O)(=O)Nc2ccc(CN3CCC=C(CCC(=O)NO)C3=O)cc2)cc1.
What is the InChIKey of N-hydroxy-3-[1-[[4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]-6-oxo-2,3-dihydropyridin-5-yl]propanamide?
The InChIKey is YKAMAXPMUZNLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5S/c1-16-4-11-20(12-5-16)31(29,30)24-19-9-6-17(7-10-19)15-25-14-2-3-18(22(25)27)8-13-21(26)23-28/h3-7,9-12,24,28H,2,8,13-15H2,1H3,(H,23,26).
What are the key properties of N-hydroxy-3-[1-[[4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]-6-oxo-2,3-dihydropyridin-5-yl]propanamide?
N-hydroxy-3-[1-[[4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]-6-oxo-2,3-dihydropyridin-5-yl]propanamide has a molecular weight of 443.53 g/mol, XLogP of 2.74, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[1-[[4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]-6-oxo-2,3-dihydropyridin-5-yl]propanamide is sourced from PubChem (CID 11430672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).