2-[(3-methylphenyl)methylsulfanyl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide

C14H17N3OS — CID 47289669

IUPAC2-[(3-methylphenyl)methylsulfanyl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide
SMILESCc1cccc(CSCC(=O)Nc2cc(C)[nH]n2)c1
InChIInChI=1S/C14H17N3OS/c1-10-4-3-5-12(6-10)8-19-9-14(18)15-13-7-11(2)16-17-13/h3-7H,8-9H2,1-2H3,(H2,15,16,17,18)
InChIKeyUIELVGUEQHHHIN-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.90
Rot. Bonds5

About 2-[(3-methylphenyl)methylsulfanyl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide

2-[(3-methylphenyl)methylsulfanyl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide (PubChem CID 47289669) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 2-[(3-methylphenyl)methylsulfanyl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[(3-methylphenyl)methylsulfanyl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide
PubChem CID47289669
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name2-[(3-methylphenyl)methylsulfanyl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide
SMILESCc1cccc(CSCC(=O)Nc2cc(C)[nH]n2)c1
InChIInChI=1S/C14H17N3OS/c1-10-4-3-5-12(6-10)8-19-9-14(18)15-13-7-11(2)16-17-13/h3-7H,8-9H2,1-2H3,(H2,15,16,17,18)
InChIKeyUIELVGUEQHHHIN-UHFFFAOYSA-N
XLogP2.90
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 18081104
2-[(3-methylphenyl)methylsulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 18081156
2-[(3-methylphenyl)methylsulfanyl]-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 103722961
N-(2-ethylphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 8839292
N-(4-ethoxyphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 733609
N-(2,4-dichlorophenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 26589848
2-methyl-3-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]benzoic acid
CID 9326313
N-(3-methylbutan-2-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 78786783
2-[(3-methylphenyl)methylsulfanyl]-N-(pyridin-4-ylmethyl)acetamide
CID 47099586
2-[(3-methylphenyl)methylsulfanyl]-N-(4-phenoxyphenyl)acetamide
CID 7914800
2-[(3-methylphenyl)methylsulfanyl]-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
CID 64548279
1-(3-methylphenyl)-3-(5-methyl-1H-pyrazol-3-yl)urea
CID 55262140

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylphenyl)methylsulfanyl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of 2-[(3-methylphenyl)methylsulfanyl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide (CID 47289669) is 2-[(3-methylphenyl)methylsulfanyl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[(3-methylphenyl)methylsulfanyl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for 2-[(3-methylphenyl)methylsulfanyl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide is Cc1cccc(CSCC(=O)Nc2cc(C)[nH]n2)c1.
What is the InChIKey of 2-[(3-methylphenyl)methylsulfanyl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide?
The InChIKey is UIELVGUEQHHHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-10-4-3-5-12(6-10)8-19-9-14(18)15-13-7-11(2)16-17-13/h3-7H,8-9H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 2-[(3-methylphenyl)methylsulfanyl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide?
2-[(3-methylphenyl)methylsulfanyl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide has a molecular weight of 275.38 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylphenyl)methylsulfanyl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 47289669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).