N-hydroxy-3-[3-[(4-methoxyphenyl)sulfonyl-propylamino]phenyl]-3-pyridin-3-ylprop-2-enamide

C24H25N3O5S — CID 173226269

IUPACN-hydroxy-3-[3-[(4-methoxyphenyl)sulfonyl-propylamino]phenyl]-3-pyridin-3-ylprop-2-enamide
SMILESCCCN(c1cccc(C(=CC(=O)NO)c2cccnc2)c1)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C24H25N3O5S/c1-3-14-27(33(30,31)22-11-9-21(32-2)10-12-22)20-8-4-6-18(15-20)23(16-24(28)26-29)19-7-5-13-25-17-19/h4-13,15-17,29H,3,14H2,1-2H3,(H,26,28)
InChIKeyKJUCWHWJIJGFPH-UHFFFAOYSA-N
MW467.55 g/mol
LogP3.63
Rot. Bonds9

About N-hydroxy-3-[3-[(4-methoxyphenyl)sulfonyl-propylamino]phenyl]-3-pyridin-3-ylprop-2-enamide

N-hydroxy-3-[3-[(4-methoxyphenyl)sulfonyl-propylamino]phenyl]-3-pyridin-3-ylprop-2-enamide (PubChem CID 173226269) has the molecular formula C24H25N3O5S and a molecular weight of 467.55 g/mol. Its IUPAC name is N-hydroxy-3-[3-[(4-methoxyphenyl)sulfonyl-propylamino]phenyl]-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound NameN-hydroxy-3-[3-[(4-methoxyphenyl)sulfonyl-propylamino]phenyl]-3-pyridin-3-ylprop-2-enamide
PubChem CID173226269
Molecular FormulaC24H25N3O5S
Molecular Weight467.55 g/mol
Exact Mass467.15
IUPAC NameN-hydroxy-3-[3-[(4-methoxyphenyl)sulfonyl-propylamino]phenyl]-3-pyridin-3-ylprop-2-enamide
SMILESCCCN(c1cccc(C(=CC(=O)NO)c2cccnc2)c1)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C24H25N3O5S/c1-3-14-27(33(30,31)22-11-9-21(32-2)10-12-22)20-8-4-6-18(15-20)23(16-24(28)26-29)19-7-5-13-25-17-19/h4-13,15-17,29H,3,14H2,1-2H3,(H,26,28)
InChIKeyKJUCWHWJIJGFPH-UHFFFAOYSA-N
XLogP3.63
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 53.63
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

3-[3-[cyanomethyl-(4-methoxyphenyl)sulfonylamino]phenyl]-N-hydroxy-3-pyridin-3-ylprop-2-enamide
CID 91291143
N-butyl-N-[3-[3-(dimethylamino)prop-2-enoyl]phenyl]-4-methoxybenzenesulfonamide
CID 69152574
(2S)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]pentanamide
CID 177375287
(2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]propanamide
CID 89137426
N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methylbutanamide;hydrochloride
CID 22907040
(2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-phenylpropanamide
CID 170380842
N-[2-(4-methoxy-N-methylsulfonylanilino)ethyl]pyridine-3-carboxamide
CID 113070510
methyl 2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3,5-dimethylbenzoate
CID 70055629
(2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-4,4-dimethylpentanamide
CID 10526209
(2R)-4-fluoro-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]pent-4-enamide
CID 71465371
methyl 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetate
CID 27014139
3-formyl-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]benzoic acid
CID 21310948

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-[3-[(4-methoxyphenyl)sulfonyl-propylamino]phenyl]-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of N-hydroxy-3-[3-[(4-methoxyphenyl)sulfonyl-propylamino]phenyl]-3-pyridin-3-ylprop-2-enamide (CID 173226269) is N-hydroxy-3-[3-[(4-methoxyphenyl)sulfonyl-propylamino]phenyl]-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for N-hydroxy-3-[3-[(4-methoxyphenyl)sulfonyl-propylamino]phenyl]-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for N-hydroxy-3-[3-[(4-methoxyphenyl)sulfonyl-propylamino]phenyl]-3-pyridin-3-ylprop-2-enamide is CCCN(c1cccc(C(=CC(=O)NO)c2cccnc2)c1)S(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of N-hydroxy-3-[3-[(4-methoxyphenyl)sulfonyl-propylamino]phenyl]-3-pyridin-3-ylprop-2-enamide?
The InChIKey is KJUCWHWJIJGFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5S/c1-3-14-27(33(30,31)22-11-9-21(32-2)10-12-22)20-8-4-6-18(15-20)23(16-24(28)26-29)19-7-5-13-25-17-19/h4-13,15-17,29H,3,14H2,1-2H3,(H,26,28).
What are the key properties of N-hydroxy-3-[3-[(4-methoxyphenyl)sulfonyl-propylamino]phenyl]-3-pyridin-3-ylprop-2-enamide?
N-hydroxy-3-[3-[(4-methoxyphenyl)sulfonyl-propylamino]phenyl]-3-pyridin-3-ylprop-2-enamide has a molecular weight of 467.55 g/mol, XLogP of 3.63, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[3-[(4-methoxyphenyl)sulfonyl-propylamino]phenyl]-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 173226269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).