N-(2-hydroxyethyl)-2-[4-[3-phenyl-2-(thiophene-2-carbonyl)-3,4-dihydropyrazol-5-yl]phenoxy]acetamide

C24H23N3O4S — CID 18560688

IUPACN-(2-hydroxyethyl)-2-[4-[3-phenyl-2-(thiophene-2-carbonyl)-3,4-dihydropyrazol-5-yl]phenoxy]acetamide
SMILESO=C(COc1ccc(C2=NN(C(=O)c3cccs3)C(c3ccccc3)C2)cc1)NCCO
InChIInChI=1S/C24H23N3O4S/c28-13-12-25-23(29)16-31-19-10-8-17(9-11-19)20-15-21(18-5-2-1-3-6-18)27(26-20)24(30)22-7-4-14-32-22/h1-11,14,21,28H,12-13,15-16H2,(H,25,29)
InChIKeyQFACUXHNETZMEY-UHFFFAOYSA-N
MW449.53 g/mol
LogP3.23
Rot. Bonds8

About N-(2-hydroxyethyl)-2-[4-[3-phenyl-2-(thiophene-2-carbonyl)-3,4-dihydropyrazol-5-yl]phenoxy]acetamide

N-(2-hydroxyethyl)-2-[4-[3-phenyl-2-(thiophene-2-carbonyl)-3,4-dihydropyrazol-5-yl]phenoxy]acetamide (PubChem CID 18560688) has the molecular formula C24H23N3O4S and a molecular weight of 449.53 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-[4-[3-phenyl-2-(thiophene-2-carbonyl)-3,4-dihydropyrazol-5-yl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-[4-[3-phenyl-2-(thiophene-2-carbonyl)-3,4-dihydropyrazol-5-yl]phenoxy]acetamide
PubChem CID18560688
Molecular FormulaC24H23N3O4S
Molecular Weight449.53 g/mol
Exact Mass449.14
IUPAC NameN-(2-hydroxyethyl)-2-[4-[3-phenyl-2-(thiophene-2-carbonyl)-3,4-dihydropyrazol-5-yl]phenoxy]acetamide
SMILESO=C(COc1ccc(C2=NN(C(=O)c3cccs3)C(c3ccccc3)C2)cc1)NCCO
InChIInChI=1S/C24H23N3O4S/c28-13-12-25-23(29)16-31-19-10-8-17(9-11-19)20-15-21(18-5-2-1-3-6-18)27(26-20)24(30)22-7-4-14-32-22/h1-11,14,21,28H,12-13,15-16H2,(H,25,29)
InChIKeyQFACUXHNETZMEY-UHFFFAOYSA-N
XLogP3.23
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-[4-[3-phenyl-2-(thiophene-2-carbonyl)-3,4-dihydropyrazol-5-yl]phenoxy]acetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-[4-[3-phenyl-2-(thiophene-2-carbonyl)-3,4-dihydropyrazol-5-yl]phenoxy]acetamide (CID 18560688) is N-(2-hydroxyethyl)-2-[4-[3-phenyl-2-(thiophene-2-carbonyl)-3,4-dihydropyrazol-5-yl]phenoxy]acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-[4-[3-phenyl-2-(thiophene-2-carbonyl)-3,4-dihydropyrazol-5-yl]phenoxy]acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-[4-[3-phenyl-2-(thiophene-2-carbonyl)-3,4-dihydropyrazol-5-yl]phenoxy]acetamide is O=C(COc1ccc(C2=NN(C(=O)c3cccs3)C(c3ccccc3)C2)cc1)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-2-[4-[3-phenyl-2-(thiophene-2-carbonyl)-3,4-dihydropyrazol-5-yl]phenoxy]acetamide?
The InChIKey is QFACUXHNETZMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S/c28-13-12-25-23(29)16-31-19-10-8-17(9-11-19)20-15-21(18-5-2-1-3-6-18)27(26-20)24(30)22-7-4-14-32-22/h1-11,14,21,28H,12-13,15-16H2,(H,25,29).
What are the key properties of N-(2-hydroxyethyl)-2-[4-[3-phenyl-2-(thiophene-2-carbonyl)-3,4-dihydropyrazol-5-yl]phenoxy]acetamide?
N-(2-hydroxyethyl)-2-[4-[3-phenyl-2-(thiophene-2-carbonyl)-3,4-dihydropyrazol-5-yl]phenoxy]acetamide has a molecular weight of 449.53 g/mol, XLogP of 3.23, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-[4-[3-phenyl-2-(thiophene-2-carbonyl)-3,4-dihydropyrazol-5-yl]phenoxy]acetamide is sourced from PubChem (CID 18560688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).