N-[(2S)-3-[4-[5-[5-[(dimethylamino)methyl]-4-methylthiophen-2-yl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide

C24H32N4O5S — CID 66829256

IUPACN-[(2S)-3-[4-[5-[5-[(dimethylamino)methyl]-4-methylthiophen-2-yl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
SMILESCCc1cc(-c2noc(-c3cc(C)c(CN(C)C)s3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO
InChIInChI=1S/C24H32N4O5S/c1-6-16-9-17(7-15(3)22(16)32-13-18(30)10-25-21(31)12-29)23-26-24(33-27-23)19-8-14(2)20(34-19)11-28(4)5/h7-9,18,29-30H,6,10-13H2,1-5H3,(H,25,31)/t18-/m0/s1
InChIKeyGGAZMDZGCAJXLE-SFHVURJKSA-N
MW488.61 g/mol
LogP2.55
Rot. Bonds11

About N-[(2S)-3-[4-[5-[5-[(dimethylamino)methyl]-4-methylthiophen-2-yl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide

N-[(2S)-3-[4-[5-[5-[(dimethylamino)methyl]-4-methylthiophen-2-yl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide (PubChem CID 66829256) has the molecular formula C24H32N4O5S and a molecular weight of 488.61 g/mol. Its IUPAC name is N-[(2S)-3-[4-[5-[5-[(dimethylamino)methyl]-4-methylthiophen-2-yl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[(2S)-3-[4-[5-[5-[(dimethylamino)methyl]-4-methylthiophen-2-yl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
PubChem CID66829256
Molecular FormulaC24H32N4O5S
Molecular Weight488.61 g/mol
Exact Mass488.21
IUPAC NameN-[(2S)-3-[4-[5-[5-[(dimethylamino)methyl]-4-methylthiophen-2-yl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
SMILESCCc1cc(-c2noc(-c3cc(C)c(CN(C)C)s3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO
InChIInChI=1S/C24H32N4O5S/c1-6-16-9-17(7-15(3)22(16)32-13-18(30)10-25-21(31)12-29)23-26-24(33-27-23)19-8-14(2)20(34-19)11-28(4)5/h7-9,18,29-30H,6,10-13H2,1-5H3,(H,25,31)/t18-/m0/s1
InChIKeyGGAZMDZGCAJXLE-SFHVURJKSA-N
XLogP2.55
TPSA120.95 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.61
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-[4-[5-[5-[(dimethylamino)methyl]-4-methylthiophen-2-yl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide?
The IUPAC name of N-[(2S)-3-[4-[5-[5-[(dimethylamino)methyl]-4-methylthiophen-2-yl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide (CID 66829256) is N-[(2S)-3-[4-[5-[5-[(dimethylamino)methyl]-4-methylthiophen-2-yl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide.
What is the SMILES notation for N-[(2S)-3-[4-[5-[5-[(dimethylamino)methyl]-4-methylthiophen-2-yl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide?
The canonical SMILES for N-[(2S)-3-[4-[5-[5-[(dimethylamino)methyl]-4-methylthiophen-2-yl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide is CCc1cc(-c2noc(-c3cc(C)c(CN(C)C)s3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO.
What is the InChIKey of N-[(2S)-3-[4-[5-[5-[(dimethylamino)methyl]-4-methylthiophen-2-yl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide?
The InChIKey is GGAZMDZGCAJXLE-SFHVURJKSA-N. The full InChI is InChI=1S/C24H32N4O5S/c1-6-16-9-17(7-15(3)22(16)32-13-18(30)10-25-21(31)12-29)23-26-24(33-27-23)19-8-14(2)20(34-19)11-28(4)5/h7-9,18,29-30H,6,10-13H2,1-5H3,(H,25,31)/t18-/m0/s1.
What are the key properties of N-[(2S)-3-[4-[5-[5-[(dimethylamino)methyl]-4-methylthiophen-2-yl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide?
N-[(2S)-3-[4-[5-[5-[(dimethylamino)methyl]-4-methylthiophen-2-yl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide has a molecular weight of 488.61 g/mol, XLogP of 2.55, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-[4-[5-[5-[(dimethylamino)methyl]-4-methylthiophen-2-yl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide is sourced from PubChem (CID 66829256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).