5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[2-[2-[2-[2-[[(2E)-4-(3,5-dimethyl-1,2-oxazol-4-yl)penta-2,4-dien-2-yl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-methylbenzenesulfonamide

C32H46N4O10S2 — CID 144853740

IUPAC5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[2-[2-[2-[2-[[(2E)-4-(3,5-dimethyl-1,2-oxazol-4-yl)penta-2,4-dien-2-yl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-methylbenzenesulfonamide
SMILESC=C(/C=C(\C)S(=O)(=O)NCCOCCOCCOCCOCCNS(=O)(=O)c1cc(-c2c(C)noc2C)ccc1C)c1c(C)noc1C
InChIInChI=1S/C32H46N4O10S2/c1-22-8-9-29(32-26(5)36-46-28(32)7)21-30(22)48(39,40)34-11-13-42-15-17-44-19-18-43-16-14-41-12-10-33-47(37,38)24(3)20-23(2)31-25(4)35-45-27(31)6/h8-9,20-21,33-34H,2,10-19H2,1,3-7H3/b24-20+
InChIKeyUFJVCOLCRVBZPE-HIXSDJFHSA-N
MW710.87 g/mol
LogP3.75
Rot. Bonds22

About 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[2-[2-[2-[2-[[(2E)-4-(3,5-dimethyl-1,2-oxazol-4-yl)penta-2,4-dien-2-yl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-methylbenzenesulfonamide

5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[2-[2-[2-[2-[[(2E)-4-(3,5-dimethyl-1,2-oxazol-4-yl)penta-2,4-dien-2-yl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-methylbenzenesulfonamide (PubChem CID 144853740) has the molecular formula C32H46N4O10S2 and a molecular weight of 710.87 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[2-[2-[2-[2-[[(2E)-4-(3,5-dimethyl-1,2-oxazol-4-yl)penta-2,4-dien-2-yl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[2-[2-[2-[2-[[(2E)-4-(3,5-dimethyl-1,2-oxazol-4-yl)penta-2,4-dien-2-yl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-methylbenzenesulfonamide
PubChem CID144853740
Molecular FormulaC32H46N4O10S2
Molecular Weight710.87 g/mol
Exact Mass710.27
IUPAC Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[2-[2-[2-[2-[[(2E)-4-(3,5-dimethyl-1,2-oxazol-4-yl)penta-2,4-dien-2-yl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-methylbenzenesulfonamide
SMILESC=C(/C=C(\C)S(=O)(=O)NCCOCCOCCOCCOCCNS(=O)(=O)c1cc(-c2c(C)noc2C)ccc1C)c1c(C)noc1C
InChIInChI=1S/C32H46N4O10S2/c1-22-8-9-29(32-26(5)36-46-28(32)7)21-30(22)48(39,40)34-11-13-42-15-17-44-19-18-43-16-14-41-12-10-33-47(37,38)24(3)20-23(2)31-25(4)35-45-27(31)6/h8-9,20-21,33-34H,2,10-19H2,1,3-7H3/b24-20+
InChIKeyUFJVCOLCRVBZPE-HIXSDJFHSA-N
XLogP3.75
TPSA181.32 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds22
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.87
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[2-[2-[2-[2-[[(2E)-4-(3,5-dimethyl-1,2-oxazol-4-yl)penta-2,4-dien-2-yl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-methylbenzenesulfonamide with MolForge

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Related Compounds

5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)-2-methylbenzenesulfonamide
CID 56950423
5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[2-[4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]sulfonylamino]-2-methylbutan-2-yl]oxyethoxy]-3-methylbutyl]-2-methylbenzenesulfonamide
CID 123729542
5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3,4-dimethylphenyl)-2-methylbenzenesulfonamide
CID 53054290
5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[2-[2-[4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]sulfonylamino]-2-methylbutan-2-yl]oxyethyl]cyclopropyl]-3-methylbutyl]-2-methylbenzenesulfonamide
CID 123767757
N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]sulfanyl-2-[2-[2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]sulfanylamino]ethoxy]ethoxy]ethanamine;ethane
CID 144546242
N-[2-[2-[2-[2-[5-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-4-oxopentoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzenesulfonamide
CID 157059351
5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 53054209
4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]sulfonylmorpholine
CID 53054322
N-[3-[2-[3-[2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]sulfanylamino]ethylamino]propoxy]ethoxy]propyl]acetamide
CID 144546070
2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-[3-[2-[3-[2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]sulfonylamino]ethylamino]propoxy]ethoxy]propyl]acetamide
CID 71291117
N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-(2-hydroxyethoxy)ethylamino]-2-oxo-1H-quinoline-5-sulfonamide
CID 118094036
5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenol
CID 53218794

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[2-[2-[2-[2-[[(2E)-4-(3,5-dimethyl-1,2-oxazol-4-yl)penta-2,4-dien-2-yl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-methylbenzenesulfonamide?
The IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[2-[2-[2-[2-[[(2E)-4-(3,5-dimethyl-1,2-oxazol-4-yl)penta-2,4-dien-2-yl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-methylbenzenesulfonamide (CID 144853740) is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[2-[2-[2-[2-[[(2E)-4-(3,5-dimethyl-1,2-oxazol-4-yl)penta-2,4-dien-2-yl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[2-[2-[2-[2-[[(2E)-4-(3,5-dimethyl-1,2-oxazol-4-yl)penta-2,4-dien-2-yl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[2-[2-[2-[2-[[(2E)-4-(3,5-dimethyl-1,2-oxazol-4-yl)penta-2,4-dien-2-yl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-methylbenzenesulfonamide is C=C(/C=C(\C)S(=O)(=O)NCCOCCOCCOCCOCCNS(=O)(=O)c1cc(-c2c(C)noc2C)ccc1C)c1c(C)noc1C.
What is the InChIKey of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[2-[2-[2-[2-[[(2E)-4-(3,5-dimethyl-1,2-oxazol-4-yl)penta-2,4-dien-2-yl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-methylbenzenesulfonamide?
The InChIKey is UFJVCOLCRVBZPE-HIXSDJFHSA-N. The full InChI is InChI=1S/C32H46N4O10S2/c1-22-8-9-29(32-26(5)36-46-28(32)7)21-30(22)48(39,40)34-11-13-42-15-17-44-19-18-43-16-14-41-12-10-33-47(37,38)24(3)20-23(2)31-25(4)35-45-27(31)6/h8-9,20-21,33-34H,2,10-19H2,1,3-7H3/b24-20+.
What are the key properties of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[2-[2-[2-[2-[[(2E)-4-(3,5-dimethyl-1,2-oxazol-4-yl)penta-2,4-dien-2-yl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-methylbenzenesulfonamide?
5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[2-[2-[2-[2-[[(2E)-4-(3,5-dimethyl-1,2-oxazol-4-yl)penta-2,4-dien-2-yl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-methylbenzenesulfonamide has a molecular weight of 710.87 g/mol, XLogP of 3.75, 22 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[2-[2-[2-[2-[[(2E)-4-(3,5-dimethyl-1,2-oxazol-4-yl)penta-2,4-dien-2-yl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 144853740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).