2-[4-[methyl-(2,3,5,6-tetramethylphenyl)sulfonylamino]phenoxy]-N-(3-pyrazol-1-ylpropyl)acetamide

C25H32N4O4S — CID 37393401

IUPAC2-[4-[methyl-(2,3,5,6-tetramethylphenyl)sulfonylamino]phenoxy]-N-(3-pyrazol-1-ylpropyl)acetamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)N(C)c2ccc(OCC(=O)NCCCn3cccn3)cc2)c1C
InChIInChI=1S/C25H32N4O4S/c1-18-16-19(2)21(4)25(20(18)3)34(31,32)28(5)22-8-10-23(11-9-22)33-17-24(30)26-12-6-14-29-15-7-13-27-29/h7-11,13,15-16H,6,12,14,17H2,1-5H3,(H,26,30)
InChIKeyOOBFWACYBZFNBF-UHFFFAOYSA-N
MW484.62 g/mol
LogP3.53
Rot. Bonds10

About 2-[4-[methyl-(2,3,5,6-tetramethylphenyl)sulfonylamino]phenoxy]-N-(3-pyrazol-1-ylpropyl)acetamide

2-[4-[methyl-(2,3,5,6-tetramethylphenyl)sulfonylamino]phenoxy]-N-(3-pyrazol-1-ylpropyl)acetamide (PubChem CID 37393401) has the molecular formula C25H32N4O4S and a molecular weight of 484.62 g/mol. Its IUPAC name is 2-[4-[methyl-(2,3,5,6-tetramethylphenyl)sulfonylamino]phenoxy]-N-(3-pyrazol-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-[4-[methyl-(2,3,5,6-tetramethylphenyl)sulfonylamino]phenoxy]-N-(3-pyrazol-1-ylpropyl)acetamide
PubChem CID37393401
Molecular FormulaC25H32N4O4S
Molecular Weight484.62 g/mol
Exact Mass484.21
IUPAC Name2-[4-[methyl-(2,3,5,6-tetramethylphenyl)sulfonylamino]phenoxy]-N-(3-pyrazol-1-ylpropyl)acetamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)N(C)c2ccc(OCC(=O)NCCCn3cccn3)cc2)c1C
InChIInChI=1S/C25H32N4O4S/c1-18-16-19(2)21(4)25(20(18)3)34(31,32)28(5)22-8-10-23(11-9-22)33-17-24(30)26-12-6-14-29-15-7-13-27-29/h7-11,13,15-16H,6,12,14,17H2,1-5H3,(H,26,30)
InChIKeyOOBFWACYBZFNBF-UHFFFAOYSA-N
XLogP3.53
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.62
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[methyl-(2,3,5,6-tetramethylphenyl)sulfonylamino]phenoxy]-N-(3-pyrazol-1-ylpropyl)acetamide?
The IUPAC name of 2-[4-[methyl-(2,3,5,6-tetramethylphenyl)sulfonylamino]phenoxy]-N-(3-pyrazol-1-ylpropyl)acetamide (CID 37393401) is 2-[4-[methyl-(2,3,5,6-tetramethylphenyl)sulfonylamino]phenoxy]-N-(3-pyrazol-1-ylpropyl)acetamide.
What is the SMILES notation for 2-[4-[methyl-(2,3,5,6-tetramethylphenyl)sulfonylamino]phenoxy]-N-(3-pyrazol-1-ylpropyl)acetamide?
The canonical SMILES for 2-[4-[methyl-(2,3,5,6-tetramethylphenyl)sulfonylamino]phenoxy]-N-(3-pyrazol-1-ylpropyl)acetamide is Cc1cc(C)c(C)c(S(=O)(=O)N(C)c2ccc(OCC(=O)NCCCn3cccn3)cc2)c1C.
What is the InChIKey of 2-[4-[methyl-(2,3,5,6-tetramethylphenyl)sulfonylamino]phenoxy]-N-(3-pyrazol-1-ylpropyl)acetamide?
The InChIKey is OOBFWACYBZFNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O4S/c1-18-16-19(2)21(4)25(20(18)3)34(31,32)28(5)22-8-10-23(11-9-22)33-17-24(30)26-12-6-14-29-15-7-13-27-29/h7-11,13,15-16H,6,12,14,17H2,1-5H3,(H,26,30).
What are the key properties of 2-[4-[methyl-(2,3,5,6-tetramethylphenyl)sulfonylamino]phenoxy]-N-(3-pyrazol-1-ylpropyl)acetamide?
2-[4-[methyl-(2,3,5,6-tetramethylphenyl)sulfonylamino]phenoxy]-N-(3-pyrazol-1-ylpropyl)acetamide has a molecular weight of 484.62 g/mol, XLogP of 3.53, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[methyl-(2,3,5,6-tetramethylphenyl)sulfonylamino]phenoxy]-N-(3-pyrazol-1-ylpropyl)acetamide is sourced from PubChem (CID 37393401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).