N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide

C17H23N3O5S2 — CID 55713239

IUPACN-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2cccs2)nc1C(=O)NCCS(=O)(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C17H23N3O5S2/c1-11-9-20(10-12(2)24-11)27(22,23)8-6-18-16(21)15-13(3)25-17(19-15)14-5-4-7-26-14/h4-5,7,11-12H,6,8-10H2,1-3H3,(H,18,21)
InChIKeyATXGBEBGIISZPL-UHFFFAOYSA-N
MW413.52 g/mol
LogP1.88
Rot. Bonds6

About N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide

N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 55713239) has the molecular formula C17H23N3O5S2 and a molecular weight of 413.52 g/mol. Its IUPAC name is N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
PubChem CID55713239
Molecular FormulaC17H23N3O5S2
Molecular Weight413.52 g/mol
Exact Mass413.11
IUPAC NameN-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2cccs2)nc1C(=O)NCCS(=O)(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C17H23N3O5S2/c1-11-9-20(10-12(2)24-11)27(22,23)8-6-18-16(21)15-13(3)25-17(19-15)14-5-4-7-26-14/h4-5,7,11-12H,6,8-10H2,1-3H3,(H,18,21)
InChIKeyATXGBEBGIISZPL-UHFFFAOYSA-N
XLogP1.88
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-5-methylthiophene-2-carboxamide
CID 51728926
2-benzyl-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-1,3-thiazole-4-carboxamide
CID 51941759
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-methylbenzamide
CID 42959769
2-chloro-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]benzamide
CID 51941813
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 51947532
(2R,6S)-2,6-dimethyl-4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]morpholine
CID 26384790
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 55658002
N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 51941811
5-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 55706816
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 42959764
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 55674939
5-(4-chlorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]thiophene-2-carboxamide
CID 55658000

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide (CID 55713239) is N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide is Cc1oc(-c2cccs2)nc1C(=O)NCCS(=O)(=O)N1CC(C)OC(C)C1.
What is the InChIKey of N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is ATXGBEBGIISZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O5S2/c1-11-9-20(10-12(2)24-11)27(22,23)8-6-18-16(21)15-13(3)25-17(19-15)14-5-4-7-26-14/h4-5,7,11-12H,6,8-10H2,1-3H3,(H,18,21).
What are the key properties of N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide?
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 413.52 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 55713239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).