N-(2-benzyl-5-methylpyrazol-3-yl)-2-thiomorpholin-3-ylacetamide

C17H22N4OS — CID 119936075

IUPACN-(2-benzyl-5-methylpyrazol-3-yl)-2-thiomorpholin-3-ylacetamide
SMILESCc1cc(NC(=O)CC2CSCCN2)n(Cc2ccccc2)n1
InChIInChI=1S/C17H22N4OS/c1-13-9-16(19-17(22)10-15-12-23-8-7-18-15)21(20-13)11-14-5-3-2-4-6-14/h2-6,9,15,18H,7-8,10-12H2,1H3,(H,19,22)
InChIKeyHIJRNRHLPBCNCZ-UHFFFAOYSA-N
MW330.46 g/mol
LogP2.27
Rot. Bonds5

About N-(2-benzyl-5-methylpyrazol-3-yl)-2-thiomorpholin-3-ylacetamide

N-(2-benzyl-5-methylpyrazol-3-yl)-2-thiomorpholin-3-ylacetamide (PubChem CID 119936075) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is N-(2-benzyl-5-methylpyrazol-3-yl)-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-(2-benzyl-5-methylpyrazol-3-yl)-2-thiomorpholin-3-ylacetamide
PubChem CID119936075
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC NameN-(2-benzyl-5-methylpyrazol-3-yl)-2-thiomorpholin-3-ylacetamide
SMILESCc1cc(NC(=O)CC2CSCCN2)n(Cc2ccccc2)n1
InChIInChI=1S/C17H22N4OS/c1-13-9-16(19-17(22)10-15-12-23-8-7-18-15)21(20-13)11-14-5-3-2-4-6-14/h2-6,9,15,18H,7-8,10-12H2,1H3,(H,19,22)
InChIKeyHIJRNRHLPBCNCZ-UHFFFAOYSA-N
XLogP2.27
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzylpyrazol-4-yl)-2-thiomorpholin-3-ylacetamide
CID 119937384
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935618
1-(2-benzyl-5-methylpyrazol-3-yl)-3-[[(2S)-pyrrolidin-2-yl]methyl]urea
CID 74243118
N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide
CID 119942283
N-[2-[(4-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938989
N-(2-benzyl-5-methylpyrazol-3-yl)-2-(4-bromophenyl)acetamide
CID 35521241
N-(3-cyclohexyl-1-methylpyrazol-5-yl)-2-[(3S)-thiomorpholin-3-yl]acetamide
CID 129415293
N-(2,2-dimethyl-3-phenylpropyl)-2-thiomorpholin-3-ylacetamide
CID 119939505
N-(2,6-diethylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66421005
N-[1-[(1S)-1-phenylethyl]pyrazol-3-yl]-2-[(3R)-thiomorpholin-3-yl]acetamide
CID 99850149
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119942182
N-(3,5-dimethylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935026

Frequently Asked Questions

What is the IUPAC name of N-(2-benzyl-5-methylpyrazol-3-yl)-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-(2-benzyl-5-methylpyrazol-3-yl)-2-thiomorpholin-3-ylacetamide (CID 119936075) is N-(2-benzyl-5-methylpyrazol-3-yl)-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-(2-benzyl-5-methylpyrazol-3-yl)-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-(2-benzyl-5-methylpyrazol-3-yl)-2-thiomorpholin-3-ylacetamide is Cc1cc(NC(=O)CC2CSCCN2)n(Cc2ccccc2)n1.
What is the InChIKey of N-(2-benzyl-5-methylpyrazol-3-yl)-2-thiomorpholin-3-ylacetamide?
The InChIKey is HIJRNRHLPBCNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-13-9-16(19-17(22)10-15-12-23-8-7-18-15)21(20-13)11-14-5-3-2-4-6-14/h2-6,9,15,18H,7-8,10-12H2,1H3,(H,19,22).
What are the key properties of N-(2-benzyl-5-methylpyrazol-3-yl)-2-thiomorpholin-3-ylacetamide?
N-(2-benzyl-5-methylpyrazol-3-yl)-2-thiomorpholin-3-ylacetamide has a molecular weight of 330.46 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzyl-5-methylpyrazol-3-yl)-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119936075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).