4-tert-butyl-N-[2-[3-(5-methyl-1,2-oxazol-3-yl)-5-thiophen-2-yl-1H-pyrazol-4-yl]ethyl]benzenesulfonamide

C23H26N4O3S2 — CID 59811045

IUPAC4-tert-butyl-N-[2-[3-(5-methyl-1,2-oxazol-3-yl)-5-thiophen-2-yl-1H-pyrazol-4-yl]ethyl]benzenesulfonamide
SMILESCc1cc(-c2n[nH]c(-c3cccs3)c2CCNS(=O)(=O)c2ccc(C(C)(C)C)cc2)no1
InChIInChI=1S/C23H26N4O3S2/c1-15-14-19(27-30-15)21-18(22(26-25-21)20-6-5-13-31-20)11-12-24-32(28,29)17-9-7-16(8-10-17)23(2,3)4/h5-10,13-14,24H,11-12H2,1-4H3,(H,25,26)
InChIKeyHRIKLMIIRPDDHR-UHFFFAOYSA-N
MW470.62 g/mol
LogP4.92
Rot. Bonds7

About 4-tert-butyl-N-[2-[3-(5-methyl-1,2-oxazol-3-yl)-5-thiophen-2-yl-1H-pyrazol-4-yl]ethyl]benzenesulfonamide

4-tert-butyl-N-[2-[3-(5-methyl-1,2-oxazol-3-yl)-5-thiophen-2-yl-1H-pyrazol-4-yl]ethyl]benzenesulfonamide (PubChem CID 59811045) has the molecular formula C23H26N4O3S2 and a molecular weight of 470.62 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-[3-(5-methyl-1,2-oxazol-3-yl)-5-thiophen-2-yl-1H-pyrazol-4-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-[3-(5-methyl-1,2-oxazol-3-yl)-5-thiophen-2-yl-1H-pyrazol-4-yl]ethyl]benzenesulfonamide
PubChem CID59811045
Molecular FormulaC23H26N4O3S2
Molecular Weight470.62 g/mol
Exact Mass470.14
IUPAC Name4-tert-butyl-N-[2-[3-(5-methyl-1,2-oxazol-3-yl)-5-thiophen-2-yl-1H-pyrazol-4-yl]ethyl]benzenesulfonamide
SMILESCc1cc(-c2n[nH]c(-c3cccs3)c2CCNS(=O)(=O)c2ccc(C(C)(C)C)cc2)no1
InChIInChI=1S/C23H26N4O3S2/c1-15-14-19(27-30-15)21-18(22(26-25-21)20-6-5-13-31-20)11-12-24-32(28,29)17-9-7-16(8-10-17)23(2,3)4/h5-10,13-14,24H,11-12H2,1-4H3,(H,25,26)
InChIKeyHRIKLMIIRPDDHR-UHFFFAOYSA-N
XLogP4.92
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.62
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-[3-(5-methyl-1,2-oxazol-3-yl)-5-thiophen-2-yl-1H-pyrazol-4-yl]ethyl]benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-[2-[3-(5-methyl-1,2-oxazol-3-yl)-5-thiophen-2-yl-1H-pyrazol-4-yl]ethyl]benzenesulfonamide (CID 59811045) is 4-tert-butyl-N-[2-[3-(5-methyl-1,2-oxazol-3-yl)-5-thiophen-2-yl-1H-pyrazol-4-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-[2-[3-(5-methyl-1,2-oxazol-3-yl)-5-thiophen-2-yl-1H-pyrazol-4-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-[2-[3-(5-methyl-1,2-oxazol-3-yl)-5-thiophen-2-yl-1H-pyrazol-4-yl]ethyl]benzenesulfonamide is Cc1cc(-c2n[nH]c(-c3cccs3)c2CCNS(=O)(=O)c2ccc(C(C)(C)C)cc2)no1.
What is the InChIKey of 4-tert-butyl-N-[2-[3-(5-methyl-1,2-oxazol-3-yl)-5-thiophen-2-yl-1H-pyrazol-4-yl]ethyl]benzenesulfonamide?
The InChIKey is HRIKLMIIRPDDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3S2/c1-15-14-19(27-30-15)21-18(22(26-25-21)20-6-5-13-31-20)11-12-24-32(28,29)17-9-7-16(8-10-17)23(2,3)4/h5-10,13-14,24H,11-12H2,1-4H3,(H,25,26).
What are the key properties of 4-tert-butyl-N-[2-[3-(5-methyl-1,2-oxazol-3-yl)-5-thiophen-2-yl-1H-pyrazol-4-yl]ethyl]benzenesulfonamide?
4-tert-butyl-N-[2-[3-(5-methyl-1,2-oxazol-3-yl)-5-thiophen-2-yl-1H-pyrazol-4-yl]ethyl]benzenesulfonamide has a molecular weight of 470.62 g/mol, XLogP of 4.92, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-[3-(5-methyl-1,2-oxazol-3-yl)-5-thiophen-2-yl-1H-pyrazol-4-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 59811045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).