4-tert-butyl-N-[3-[2-[2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide

C24H33N3O6S — CID 55346398

IUPAC4-tert-butyl-N-[3-[2-[2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide
SMILESCCOc1ccc(OC(C)C(=O)NNC(=O)CCNS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C24H33N3O6S/c1-6-32-19-9-11-20(12-10-19)33-17(2)23(29)27-26-22(28)15-16-25-34(30,31)21-13-7-18(8-14-21)24(3,4)5/h7-14,17,25H,6,15-16H2,1-5H3,(H,26,28)(H,27,29)
InChIKeyPSGUQHLIDQDYEM-UHFFFAOYSA-N
MW491.61 g/mol
LogP2.67
Rot. Bonds10

About 4-tert-butyl-N-[3-[2-[2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide

4-tert-butyl-N-[3-[2-[2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide (PubChem CID 55346398) has the molecular formula C24H33N3O6S and a molecular weight of 491.61 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-[2-[2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-[3-[2-[2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide
PubChem CID55346398
Molecular FormulaC24H33N3O6S
Molecular Weight491.61 g/mol
Exact Mass491.21
IUPAC Name4-tert-butyl-N-[3-[2-[2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide
SMILESCCOc1ccc(OC(C)C(=O)NNC(=O)CCNS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C24H33N3O6S/c1-6-32-19-9-11-20(12-10-19)33-17(2)23(29)27-26-22(28)15-16-25-34(30,31)21-13-7-18(8-14-21)24(3,4)5/h7-14,17,25H,6,15-16H2,1-5H3,(H,26,28)(H,27,29)
InChIKeyPSGUQHLIDQDYEM-UHFFFAOYSA-N
XLogP2.67
TPSA122.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.61
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(4-tert-butylphenyl)sulfonylamino]-N-(4-propan-2-yloxyphenyl)propanamide
CID 60516647
N-[(2R)-butan-2-yl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 2458972
N-[(2S)-butan-2-yl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 2458973
(2S)-2-[3-[(4-ethoxyphenyl)sulfonylamino]propanoylamino]propanoic acid
CID 119238344
2-(4-ethoxyphenoxy)-N'-(4-methylphenyl)sulfonylpropanehydrazide
CID 55353301
3-[(4-ethoxyphenyl)sulfonylamino]-N-propylpropanamide
CID 18104811
N'-[2-(4-tert-butylphenoxy)propanoyl]-3-methylbutanehydrazide
CID 46423863
3-[(4-ethoxyphenyl)sulfonylamino]-N-methyl-N-propan-2-ylpropanamide
CID 78843826
N'-[2-(4-ethoxyphenoxy)propanoyl]-4-phenoxybutanehydrazide
CID 43003788
3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2R)-2-(ethylamino)propyl]propanamide
CID 120653177
(2S)-2-(4-tert-butylphenoxy)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]propanamide
CID 38001892
N'-[2-(4-ethoxyphenoxy)propanoyl]-2-phenoxypropanehydrazide
CID 42908805

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[3-[2-[2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-[3-[2-[2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide (CID 55346398) is 4-tert-butyl-N-[3-[2-[2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-[3-[2-[2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-[3-[2-[2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide is CCOc1ccc(OC(C)C(=O)NNC(=O)CCNS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 4-tert-butyl-N-[3-[2-[2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide?
The InChIKey is PSGUQHLIDQDYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O6S/c1-6-32-19-9-11-20(12-10-19)33-17(2)23(29)27-26-22(28)15-16-25-34(30,31)21-13-7-18(8-14-21)24(3,4)5/h7-14,17,25H,6,15-16H2,1-5H3,(H,26,28)(H,27,29).
What are the key properties of 4-tert-butyl-N-[3-[2-[2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide?
4-tert-butyl-N-[3-[2-[2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide has a molecular weight of 491.61 g/mol, XLogP of 2.67, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[3-[2-[2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide is sourced from PubChem (CID 55346398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).