N-[(2S)-3-[2-ethyl-6-methyl-4-[5-[5-(2-methylpropyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide

C24H31N3O5S — CID 24784418

IUPACN-[(2S)-3-[2-ethyl-6-methyl-4-[5-[5-(2-methylpropyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
SMILESCCc1cc(-c2noc(-c3ccc(CC(C)C)s3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO
InChIInChI=1S/C24H31N3O5S/c1-5-16-10-17(9-15(4)22(16)31-13-18(29)11-25-21(30)12-28)23-26-24(32-27-23)20-7-6-19(33-20)8-14(2)3/h6-7,9-10,14,18,28-29H,5,8,11-13H2,1-4H3,(H,25,30)/t18-/m0/s1
InChIKeyQFDFADQTDJFPIU-SFHVURJKSA-N
MW473.60 g/mol
LogP3.38
Rot. Bonds11

About N-[(2S)-3-[2-ethyl-6-methyl-4-[5-[5-(2-methylpropyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide

N-[(2S)-3-[2-ethyl-6-methyl-4-[5-[5-(2-methylpropyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide (PubChem CID 24784418) has the molecular formula C24H31N3O5S and a molecular weight of 473.60 g/mol. Its IUPAC name is N-[(2S)-3-[2-ethyl-6-methyl-4-[5-[5-(2-methylpropyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[(2S)-3-[2-ethyl-6-methyl-4-[5-[5-(2-methylpropyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
PubChem CID24784418
Molecular FormulaC24H31N3O5S
Molecular Weight473.60 g/mol
Exact Mass473.20
IUPAC NameN-[(2S)-3-[2-ethyl-6-methyl-4-[5-[5-(2-methylpropyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
SMILESCCc1cc(-c2noc(-c3ccc(CC(C)C)s3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO
InChIInChI=1S/C24H31N3O5S/c1-5-16-10-17(9-15(4)22(16)31-13-18(29)11-25-21(30)12-28)23-26-24(32-27-23)20-7-6-19(33-20)8-14(2)3/h6-7,9-10,14,18,28-29H,5,8,11-13H2,1-4H3,(H,25,30)/t18-/m0/s1
InChIKeyQFDFADQTDJFPIU-SFHVURJKSA-N
XLogP3.38
TPSA117.71 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.60
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[(2S)-3-[2-ethyl-6-methyl-4-[5-[5-(2-methylpropyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-[2-ethyl-6-methyl-4-[5-[5-(2-methylpropyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide?
The IUPAC name of N-[(2S)-3-[2-ethyl-6-methyl-4-[5-[5-(2-methylpropyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide (CID 24784418) is N-[(2S)-3-[2-ethyl-6-methyl-4-[5-[5-(2-methylpropyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide.
What is the SMILES notation for N-[(2S)-3-[2-ethyl-6-methyl-4-[5-[5-(2-methylpropyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide?
The canonical SMILES for N-[(2S)-3-[2-ethyl-6-methyl-4-[5-[5-(2-methylpropyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide is CCc1cc(-c2noc(-c3ccc(CC(C)C)s3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO.
What is the InChIKey of N-[(2S)-3-[2-ethyl-6-methyl-4-[5-[5-(2-methylpropyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide?
The InChIKey is QFDFADQTDJFPIU-SFHVURJKSA-N. The full InChI is InChI=1S/C24H31N3O5S/c1-5-16-10-17(9-15(4)22(16)31-13-18(29)11-25-21(30)12-28)23-26-24(32-27-23)20-7-6-19(33-20)8-14(2)3/h6-7,9-10,14,18,28-29H,5,8,11-13H2,1-4H3,(H,25,30)/t18-/m0/s1.
What are the key properties of N-[(2S)-3-[2-ethyl-6-methyl-4-[5-[5-(2-methylpropyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide?
N-[(2S)-3-[2-ethyl-6-methyl-4-[5-[5-(2-methylpropyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide has a molecular weight of 473.60 g/mol, XLogP of 3.38, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-[2-ethyl-6-methyl-4-[5-[5-(2-methylpropyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide is sourced from PubChem (CID 24784418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).