N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-(4-pyrazol-1-ylphenyl)acetamide

C19H26N4O4S — CID 51947693

IUPACN-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-(4-pyrazol-1-ylphenyl)acetamide
SMILESC[C@@H]1CN(S(=O)(=O)CCNC(=O)Cc2ccc(-n3cccn3)cc2)C[C@H](C)O1
InChIInChI=1S/C19H26N4O4S/c1-15-13-22(14-16(2)27-15)28(25,26)11-9-20-19(24)12-17-4-6-18(7-5-17)23-10-3-8-21-23/h3-8,10,15-16H,9,11-14H2,1-2H3,(H,20,24)/t15-,16+
InChIKeyQTMVAPVQJAFKNZ-IYBDPMFKSA-N
MW406.51 g/mol
LogP0.97
Rot. Bonds7

About N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-(4-pyrazol-1-ylphenyl)acetamide

N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-(4-pyrazol-1-ylphenyl)acetamide (PubChem CID 51947693) has the molecular formula C19H26N4O4S and a molecular weight of 406.51 g/mol. Its IUPAC name is N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-(4-pyrazol-1-ylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-(4-pyrazol-1-ylphenyl)acetamide
PubChem CID51947693
Molecular FormulaC19H26N4O4S
Molecular Weight406.51 g/mol
Exact Mass406.17
IUPAC NameN-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-(4-pyrazol-1-ylphenyl)acetamide
SMILESC[C@@H]1CN(S(=O)(=O)CCNC(=O)Cc2ccc(-n3cccn3)cc2)C[C@H](C)O1
InChIInChI=1S/C19H26N4O4S/c1-15-13-22(14-16(2)27-15)28(25,26)11-9-20-19(24)12-17-4-6-18(7-5-17)23-10-3-8-21-23/h3-8,10,15-16H,9,11-14H2,1-2H3,(H,20,24)/t15-,16+
InChIKeyQTMVAPVQJAFKNZ-IYBDPMFKSA-N
XLogP0.97
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-quinolin-8-ylacetamide
CID 51942956
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CID 46433864
N-(3-hydroxy-4-methylpentyl)-2-(4-pyrazol-1-ylphenyl)acetamide
CID 111461001
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 55840923
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 55658185
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-(4-pyrrol-1-ylphenyl)acetamide
CID 172615647
2-chloro-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]benzamide
CID 51941813
N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 51941811
4-(1H-benzimidazol-2-yl)-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]butanamide
CID 46433394
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 42959764
N-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]-2-(4-pyrazol-1-ylphenyl)acetamide
CID 51948680
N-(3-piperazin-1-ylpropyl)-2-(4-pyrazol-1-ylphenyl)acetamide
CID 119392944

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-(4-pyrazol-1-ylphenyl)acetamide?
The IUPAC name of N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-(4-pyrazol-1-ylphenyl)acetamide (CID 51947693) is N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-(4-pyrazol-1-ylphenyl)acetamide.
What is the SMILES notation for N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-(4-pyrazol-1-ylphenyl)acetamide?
The canonical SMILES for N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-(4-pyrazol-1-ylphenyl)acetamide is C[C@@H]1CN(S(=O)(=O)CCNC(=O)Cc2ccc(-n3cccn3)cc2)C[C@H](C)O1.
What is the InChIKey of N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-(4-pyrazol-1-ylphenyl)acetamide?
The InChIKey is QTMVAPVQJAFKNZ-IYBDPMFKSA-N. The full InChI is InChI=1S/C19H26N4O4S/c1-15-13-22(14-16(2)27-15)28(25,26)11-9-20-19(24)12-17-4-6-18(7-5-17)23-10-3-8-21-23/h3-8,10,15-16H,9,11-14H2,1-2H3,(H,20,24)/t15-,16+.
What are the key properties of N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-(4-pyrazol-1-ylphenyl)acetamide?
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-(4-pyrazol-1-ylphenyl)acetamide has a molecular weight of 406.51 g/mol, XLogP of 0.97, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-(4-pyrazol-1-ylphenyl)acetamide is sourced from PubChem (CID 51947693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).