3-[4-[1-(diethylamino)ethoxy]phenyl]-2-(4-ethoxyphenyl)sulfonyl-N-hydroxy-2-methylpropanamide

C24H34N2O6S — CID 18431233

IUPAC3-[4-[1-(diethylamino)ethoxy]phenyl]-2-(4-ethoxyphenyl)sulfonyl-N-hydroxy-2-methylpropanamide
SMILESCCOc1ccc(S(=O)(=O)C(C)(Cc2ccc(OC(C)N(CC)CC)cc2)C(=O)NO)cc1
InChIInChI=1S/C24H34N2O6S/c1-6-26(7-2)18(4)32-21-11-9-19(10-12-21)17-24(5,23(27)25-28)33(29,30)22-15-13-20(14-16-22)31-8-3/h9-16,18,28H,6-8,17H2,1-5H3,(H,25,27)
InChIKeyIQDBAEZTPBDPIG-UHFFFAOYSA-N
MW478.61 g/mol
LogP3.43
Rot. Bonds12

About 3-[4-[1-(diethylamino)ethoxy]phenyl]-2-(4-ethoxyphenyl)sulfonyl-N-hydroxy-2-methylpropanamide

3-[4-[1-(diethylamino)ethoxy]phenyl]-2-(4-ethoxyphenyl)sulfonyl-N-hydroxy-2-methylpropanamide (PubChem CID 18431233) has the molecular formula C24H34N2O6S and a molecular weight of 478.61 g/mol. Its IUPAC name is 3-[4-[1-(diethylamino)ethoxy]phenyl]-2-(4-ethoxyphenyl)sulfonyl-N-hydroxy-2-methylpropanamide.

Molecular Properties

Compound Name3-[4-[1-(diethylamino)ethoxy]phenyl]-2-(4-ethoxyphenyl)sulfonyl-N-hydroxy-2-methylpropanamide
PubChem CID18431233
Molecular FormulaC24H34N2O6S
Molecular Weight478.61 g/mol
Exact Mass478.21
IUPAC Name3-[4-[1-(diethylamino)ethoxy]phenyl]-2-(4-ethoxyphenyl)sulfonyl-N-hydroxy-2-methylpropanamide
SMILESCCOc1ccc(S(=O)(=O)C(C)(Cc2ccc(OC(C)N(CC)CC)cc2)C(=O)NO)cc1
InChIInChI=1S/C24H34N2O6S/c1-6-26(7-2)18(4)32-21-11-9-19(10-12-21)17-24(5,23(27)25-28)33(29,30)22-15-13-20(14-16-22)31-8-3/h9-16,18,28H,6-8,17H2,1-5H3,(H,25,27)
InChIKeyIQDBAEZTPBDPIG-UHFFFAOYSA-N
XLogP3.43
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.61
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethoxyphenyl)sulfonyl-N-hydroxy-2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propanamide
CID 45357244
(2S)-2-(4-butoxyphenyl)sulfonyl-N-hydroxy-2-methyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]propanamide
CID 57402753
2-(4-ethoxyphenyl)sulfonyl-3-[4-[2-(ethylamino)butoxy]phenyl]-2-methylpropanamide
CID 70155786
N-[(4-ethoxyphenyl)methyl]-4-propan-2-yloxybenzenesulfonamide
CID 110780913
N-tert-butyl-2-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 51233702
methyl 3-(4-ethoxyphenyl)-2,2-dimethylpropanoate
CID 116927544
2-(diethylamino)-3-(4-ethoxyphenyl)-2-methylpropanoic acid
CID 84752439
2-(4-ethoxyphenyl)-N-(3-hydroxy-2-methylbutan-2-yl)acetamide
CID 115884327
2-[[(4-ethoxyphenyl)sulfonylamino]methyl]-3-methylbutanoic acid
CID 65220960
ethyl 2-(4-methoxyphenyl)sulfonyl-2-methyl-3-phenylpropanoate
CID 10948439
(2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methyl-1-phenylpropan-2-yl)propanamide
CID 125064613
N-[1-(4-bromophenyl)ethyl]-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide
CID 43872386

Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-(diethylamino)ethoxy]phenyl]-2-(4-ethoxyphenyl)sulfonyl-N-hydroxy-2-methylpropanamide?
The IUPAC name of 3-[4-[1-(diethylamino)ethoxy]phenyl]-2-(4-ethoxyphenyl)sulfonyl-N-hydroxy-2-methylpropanamide (CID 18431233) is 3-[4-[1-(diethylamino)ethoxy]phenyl]-2-(4-ethoxyphenyl)sulfonyl-N-hydroxy-2-methylpropanamide.
What is the SMILES notation for 3-[4-[1-(diethylamino)ethoxy]phenyl]-2-(4-ethoxyphenyl)sulfonyl-N-hydroxy-2-methylpropanamide?
The canonical SMILES for 3-[4-[1-(diethylamino)ethoxy]phenyl]-2-(4-ethoxyphenyl)sulfonyl-N-hydroxy-2-methylpropanamide is CCOc1ccc(S(=O)(=O)C(C)(Cc2ccc(OC(C)N(CC)CC)cc2)C(=O)NO)cc1.
What is the InChIKey of 3-[4-[1-(diethylamino)ethoxy]phenyl]-2-(4-ethoxyphenyl)sulfonyl-N-hydroxy-2-methylpropanamide?
The InChIKey is IQDBAEZTPBDPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O6S/c1-6-26(7-2)18(4)32-21-11-9-19(10-12-21)17-24(5,23(27)25-28)33(29,30)22-15-13-20(14-16-22)31-8-3/h9-16,18,28H,6-8,17H2,1-5H3,(H,25,27).
What are the key properties of 3-[4-[1-(diethylamino)ethoxy]phenyl]-2-(4-ethoxyphenyl)sulfonyl-N-hydroxy-2-methylpropanamide?
3-[4-[1-(diethylamino)ethoxy]phenyl]-2-(4-ethoxyphenyl)sulfonyl-N-hydroxy-2-methylpropanamide has a molecular weight of 478.61 g/mol, XLogP of 3.43, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[1-(diethylamino)ethoxy]phenyl]-2-(4-ethoxyphenyl)sulfonyl-N-hydroxy-2-methylpropanamide is sourced from PubChem (CID 18431233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).