2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2-thiophen-2-ylethyl)acetamide

C17H24N4O4S2 — CID 8562074

IUPAC2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2-thiophen-2-ylethyl)acetamide
SMILESCc1nn(CC(=O)NCCc2cccs2)c(C)c1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C17H24N4O4S2/c1-13-17(27(23,24)20-7-9-25-10-8-20)14(2)21(19-13)12-16(22)18-6-5-15-4-3-11-26-15/h3-4,11H,5-10,12H2,1-2H3,(H,18,22)
InChIKeySUBLMSIRFLZLMH-UHFFFAOYSA-N
MW412.54 g/mol
LogP0.94
Rot. Bonds7

About 2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2-thiophen-2-ylethyl)acetamide

2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2-thiophen-2-ylethyl)acetamide (PubChem CID 8562074) has the molecular formula C17H24N4O4S2 and a molecular weight of 412.54 g/mol. Its IUPAC name is 2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2-thiophen-2-ylethyl)acetamide
PubChem CID8562074
Molecular FormulaC17H24N4O4S2
Molecular Weight412.54 g/mol
Exact Mass412.12
IUPAC Name2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2-thiophen-2-ylethyl)acetamide
SMILESCc1nn(CC(=O)NCCc2cccs2)c(C)c1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C17H24N4O4S2/c1-13-17(27(23,24)20-7-9-25-10-8-20)14(2)21(19-13)12-16(22)18-6-5-15-4-3-11-26-15/h3-4,11H,5-10,12H2,1-2H3,(H,18,22)
InChIKeySUBLMSIRFLZLMH-UHFFFAOYSA-N
XLogP0.94
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2-fluorophenyl)acetamide
CID 8561748
N-benzyl-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-methylacetamide
CID 8561430
N-cyclopropyl-3-[[2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)acetyl]amino]benzamide
CID 24582052
1-(4-tert-butylphenyl)-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)ethanone
CID 9473665
3-morpholin-4-ylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide
CID 27770200
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)acetamide
CID 8561950
3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 43008074
2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-1-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone
CID 41176177
4-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]sulfonylmorpholine
CID 8668021
3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2,3-dimethylphenyl)propanamide
CID 46345139
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)acetamide
CID 8561962
4-[(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methyl]-N-[(2-methylphenyl)methyl]benzamide
CID 53139563

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2-thiophen-2-ylethyl)acetamide (CID 8562074) is 2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2-thiophen-2-ylethyl)acetamide is Cc1nn(CC(=O)NCCc2cccs2)c(C)c1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2-thiophen-2-ylethyl)acetamide?
The InChIKey is SUBLMSIRFLZLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4S2/c1-13-17(27(23,24)20-7-9-25-10-8-20)14(2)21(19-13)12-16(22)18-6-5-15-4-3-11-26-15/h3-4,11H,5-10,12H2,1-2H3,(H,18,22).
What are the key properties of 2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2-thiophen-2-ylethyl)acetamide?
2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2-thiophen-2-ylethyl)acetamide has a molecular weight of 412.54 g/mol, XLogP of 0.94, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 8562074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).