N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-phenyl-2-thiomorpholin-4-ylacetamide

C18H24N4OS — CID 51099889

IUPACN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-phenyl-2-thiomorpholin-4-ylacetamide
SMILESCN(Cc1cnn(C)c1)C(=O)C(c1ccccc1)N1CCSCC1
InChIInChI=1S/C18H24N4OS/c1-20(13-15-12-19-21(2)14-15)18(23)17(16-6-4-3-5-7-16)22-8-10-24-11-9-22/h3-7,12,14,17H,8-11,13H2,1-2H3
InChIKeyKGEMGBJNPFYDJN-UHFFFAOYSA-N
MW344.48 g/mol
LogP2.17
Rot. Bonds5

About N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-phenyl-2-thiomorpholin-4-ylacetamide

N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-phenyl-2-thiomorpholin-4-ylacetamide (PubChem CID 51099889) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-phenyl-2-thiomorpholin-4-ylacetamide.

Molecular Properties

Compound NameN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-phenyl-2-thiomorpholin-4-ylacetamide
PubChem CID51099889
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC NameN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-phenyl-2-thiomorpholin-4-ylacetamide
SMILESCN(Cc1cnn(C)c1)C(=O)C(c1ccccc1)N1CCSCC1
InChIInChI=1S/C18H24N4OS/c1-20(13-15-12-19-21(2)14-15)18(23)17(16-6-4-3-5-7-16)22-8-10-24-11-9-22/h3-7,12,14,17H,8-11,13H2,1-2H3
InChIKeyKGEMGBJNPFYDJN-UHFFFAOYSA-N
XLogP2.17
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-Benzoyl-2-methylpiperazin-1-yl)-2-[4-(1-methylpyrazol-4-yl)phenyl]ethane-1,2-dione
CID 44191530
1-[3-[Methyl(2-phenylethyl)amino]piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 24790635
US10617680, Example 168
CID 135355552
2-[4-(1-benzyl-1H-pyrazol-4-yl)-3,6-dihydropyridin-1(2H)-yl]-N,N-dimethylacetamide
CID 50970599
(2-Ethylsulfonylphenyl)-(3-pyrazol-1-ylpiperidin-1-yl)methanone
CID 53551188
4-[2-Oxo-2-(3-pyrazol-1-ylpiperidin-1-yl)ethyl]benzonitrile
CID 53551236
[4-[(Dimethylamino)methyl]phenyl]-(3-pyrazol-1-ylpiperidin-1-yl)methanone
CID 53561043
[3-(Methylsulfonylmethyl)phenyl]-(3-pyrazol-1-ylpiperidin-1-yl)methanone
CID 53562013
1-[4-[(1-Ethylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-3-phenylpropan-1-one
CID 53572789
4-[2-[3-(4-Methylpyrazol-1-yl)piperidin-1-yl]-2-oxoethyl]benzonitrile
CID 53583605
3-[2-[(4-Methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]benzamide
CID 53619272
3-(3,4-Difluorophenyl)-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 53620924

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-phenyl-2-thiomorpholin-4-ylacetamide?
The IUPAC name of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-phenyl-2-thiomorpholin-4-ylacetamide (CID 51099889) is N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-phenyl-2-thiomorpholin-4-ylacetamide.
What is the SMILES notation for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-phenyl-2-thiomorpholin-4-ylacetamide?
The canonical SMILES for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-phenyl-2-thiomorpholin-4-ylacetamide is CN(Cc1cnn(C)c1)C(=O)C(c1ccccc1)N1CCSCC1.
What is the InChIKey of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-phenyl-2-thiomorpholin-4-ylacetamide?
The InChIKey is KGEMGBJNPFYDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-20(13-15-12-19-21(2)14-15)18(23)17(16-6-4-3-5-7-16)22-8-10-24-11-9-22/h3-7,12,14,17H,8-11,13H2,1-2H3.
What are the key properties of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-phenyl-2-thiomorpholin-4-ylacetamide?
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-phenyl-2-thiomorpholin-4-ylacetamide has a molecular weight of 344.48 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-phenyl-2-thiomorpholin-4-ylacetamide is sourced from PubChem (CID 51099889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).