N-hydroxy-4-[4-[3-[(4-methoxybenzoyl)amino]propanoylamino]phenyl]sulfonyloxane-4-carboxamide

C23H27N3O8S — CID 20620808

IUPACN-hydroxy-4-[4-[3-[(4-methoxybenzoyl)amino]propanoylamino]phenyl]sulfonyloxane-4-carboxamide
SMILESCOc1ccc(C(=O)NCCC(=O)Nc2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)cc1
InChIInChI=1S/C23H27N3O8S/c1-33-18-6-2-16(3-7-18)21(28)24-13-10-20(27)25-17-4-8-19(9-5-17)35(31,32)23(22(29)26-30)11-14-34-15-12-23/h2-9,30H,10-15H2,1H3,(H,24,28)(H,25,27)(H,26,29)
InChIKeyVVBIKPQEUKZLRW-UHFFFAOYSA-N
MW505.55 g/mol
LogP1.28
Rot. Bonds9

About N-hydroxy-4-[4-[3-[(4-methoxybenzoyl)amino]propanoylamino]phenyl]sulfonyloxane-4-carboxamide

N-hydroxy-4-[4-[3-[(4-methoxybenzoyl)amino]propanoylamino]phenyl]sulfonyloxane-4-carboxamide (PubChem CID 20620808) has the molecular formula C23H27N3O8S and a molecular weight of 505.55 g/mol. Its IUPAC name is N-hydroxy-4-[4-[3-[(4-methoxybenzoyl)amino]propanoylamino]phenyl]sulfonyloxane-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[4-[3-[(4-methoxybenzoyl)amino]propanoylamino]phenyl]sulfonyloxane-4-carboxamide
PubChem CID20620808
Molecular FormulaC23H27N3O8S
Molecular Weight505.55 g/mol
Exact Mass505.15
IUPAC NameN-hydroxy-4-[4-[3-[(4-methoxybenzoyl)amino]propanoylamino]phenyl]sulfonyloxane-4-carboxamide
SMILESCOc1ccc(C(=O)NCCC(=O)Nc2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)cc1
InChIInChI=1S/C23H27N3O8S/c1-33-18-6-2-16(3-7-18)21(28)24-13-10-20(27)25-17-4-8-19(9-5-17)35(31,32)23(22(29)26-30)11-14-34-15-12-23/h2-9,30H,10-15H2,1H3,(H,24,28)(H,25,27)(H,26,29)
InChIKeyVVBIKPQEUKZLRW-UHFFFAOYSA-N
XLogP1.28
TPSA160.13 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.55
LogP ≤ 51.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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

N-hydroxy-4-[4-[4-(4-methoxyphenyl)-4-oxobutoxy]phenyl]sulfonyloxane-4-carboxamide
CID 10184126
N-hydroxy-4-[4-[4-(4-methoxyphenyl)butyl]phenyl]sulfonyloxane-4-carboxamide
CID 20620689
N-hydroxy-4-[4-[3-(4-methoxyphenyl)propoxy]phenyl]sulfonyloxane-4-carboxamide
CID 20620571
N-hydroxy-4-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]sulfonyloxane-4-carboxamide
CID 54582543
4-(3-benzamidopropanoylamino)-N-(4-methoxyphenyl)benzamide
CID 8884300
N-[3-(4-ethoxyanilino)-3-oxopropyl]-4-methoxybenzamide
CID 46755855
4-[4-[(Z)-4-cyano-4-(4-methoxyphenyl)but-3-enoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 20620695
4-methoxy-N-[4-oxo-4-(4-piperidin-1-ylsulfonylanilino)butyl]benzamide
CID 55624016
N-hydroxy-4-[4-[4-(3-iodoanilino)-4-oxobutoxy]phenyl]sulfonyloxane-4-carboxamide
CID 20620705
4-amino-N-[3-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]propyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 20780943
N-(4-methoxyphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 7733845
N-hydroxy-4-[4-(4-methoxyphenoxy)phenyl]sulfonyl-1,1-dioxothiane-4-carboxamide
CID 22707846

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[4-[3-[(4-methoxybenzoyl)amino]propanoylamino]phenyl]sulfonyloxane-4-carboxamide?
The IUPAC name of N-hydroxy-4-[4-[3-[(4-methoxybenzoyl)amino]propanoylamino]phenyl]sulfonyloxane-4-carboxamide (CID 20620808) is N-hydroxy-4-[4-[3-[(4-methoxybenzoyl)amino]propanoylamino]phenyl]sulfonyloxane-4-carboxamide.
What is the SMILES notation for N-hydroxy-4-[4-[3-[(4-methoxybenzoyl)amino]propanoylamino]phenyl]sulfonyloxane-4-carboxamide?
The canonical SMILES for N-hydroxy-4-[4-[3-[(4-methoxybenzoyl)amino]propanoylamino]phenyl]sulfonyloxane-4-carboxamide is COc1ccc(C(=O)NCCC(=O)Nc2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)cc1.
What is the InChIKey of N-hydroxy-4-[4-[3-[(4-methoxybenzoyl)amino]propanoylamino]phenyl]sulfonyloxane-4-carboxamide?
The InChIKey is VVBIKPQEUKZLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O8S/c1-33-18-6-2-16(3-7-18)21(28)24-13-10-20(27)25-17-4-8-19(9-5-17)35(31,32)23(22(29)26-30)11-14-34-15-12-23/h2-9,30H,10-15H2,1H3,(H,24,28)(H,25,27)(H,26,29).
What are the key properties of N-hydroxy-4-[4-[3-[(4-methoxybenzoyl)amino]propanoylamino]phenyl]sulfonyloxane-4-carboxamide?
N-hydroxy-4-[4-[3-[(4-methoxybenzoyl)amino]propanoylamino]phenyl]sulfonyloxane-4-carboxamide has a molecular weight of 505.55 g/mol, XLogP of 1.28, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[4-[3-[(4-methoxybenzoyl)amino]propanoylamino]phenyl]sulfonyloxane-4-carboxamide is sourced from PubChem (CID 20620808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).