2-(4-methylpyrazol-1-yl)-N-(2-phenylsulfanylphenyl)acetamide

C18H17N3OS — CID 19526400

IUPAC2-(4-methylpyrazol-1-yl)-N-(2-phenylsulfanylphenyl)acetamide
SMILESCc1cnn(CC(=O)Nc2ccccc2Sc2ccccc2)c1
InChIInChI=1S/C18H17N3OS/c1-14-11-19-21(12-14)13-18(22)20-16-9-5-6-10-17(16)23-15-7-3-2-4-8-15/h2-12H,13H2,1H3,(H,20,22)
InChIKeyDMZGYVJOASHBPT-UHFFFAOYSA-N
MW323.42 g/mol
LogP3.98
Rot. Bonds5

About 2-(4-methylpyrazol-1-yl)-N-(2-phenylsulfanylphenyl)acetamide

2-(4-methylpyrazol-1-yl)-N-(2-phenylsulfanylphenyl)acetamide (PubChem CID 19526400) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is 2-(4-methylpyrazol-1-yl)-N-(2-phenylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-methylpyrazol-1-yl)-N-(2-phenylsulfanylphenyl)acetamide
PubChem CID19526400
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC Name2-(4-methylpyrazol-1-yl)-N-(2-phenylsulfanylphenyl)acetamide
SMILESCc1cnn(CC(=O)Nc2ccccc2Sc2ccccc2)c1
InChIInChI=1S/C18H17N3OS/c1-14-11-19-21(12-14)13-18(22)20-16-9-5-6-10-17(16)23-15-7-3-2-4-8-15/h2-12H,13H2,1H3,(H,20,22)
InChIKeyDMZGYVJOASHBPT-UHFFFAOYSA-N
XLogP3.98
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylpyrazol-1-yl)-N-(2-phenylsulfanylphenyl)propanamide
CID 19534326
2-hydroxy-N-(2-phenylsulfanylphenyl)acetamide
CID 8006850
methyl 2-[[2-(4-methylpyrazol-1-yl)acetyl]amino]benzoate
CID 60527491
N-(2-phenylsulfanylphenyl)-2-(propylamino)acetamide
CID 60648203
N-(2-phenylsulfanylphenyl)-2-pyrrolidin-1-ylacetamide
CID 4879989
N-(4-methylphenyl)-2-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]sulfanylacetamide
CID 34219891
N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(4-methylpyrazol-1-yl)propanamide
CID 19584490
3-(4-chloro-5-methylpyrazol-1-yl)-N-(2-phenylsulfanylphenyl)propanamide
CID 19552278
N-(2,5-dimethylphenyl)-2-(4-methylpyrazol-1-yl)acetamide
CID 19526490
2-(2,5-dimethylphenyl)-N-(2-phenylsulfanylphenyl)acetamide
CID 28571076
4-(4-methylphenyl)-4-oxo-N-(2-phenylsulfanylphenyl)butanamide
CID 108796287
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-(2-phenylsulfanylphenyl)acetamide
CID 2096773

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpyrazol-1-yl)-N-(2-phenylsulfanylphenyl)acetamide?
The IUPAC name of 2-(4-methylpyrazol-1-yl)-N-(2-phenylsulfanylphenyl)acetamide (CID 19526400) is 2-(4-methylpyrazol-1-yl)-N-(2-phenylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(4-methylpyrazol-1-yl)-N-(2-phenylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(4-methylpyrazol-1-yl)-N-(2-phenylsulfanylphenyl)acetamide is Cc1cnn(CC(=O)Nc2ccccc2Sc2ccccc2)c1.
What is the InChIKey of 2-(4-methylpyrazol-1-yl)-N-(2-phenylsulfanylphenyl)acetamide?
The InChIKey is DMZGYVJOASHBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS/c1-14-11-19-21(12-14)13-18(22)20-16-9-5-6-10-17(16)23-15-7-3-2-4-8-15/h2-12H,13H2,1H3,(H,20,22).
What are the key properties of 2-(4-methylpyrazol-1-yl)-N-(2-phenylsulfanylphenyl)acetamide?
2-(4-methylpyrazol-1-yl)-N-(2-phenylsulfanylphenyl)acetamide has a molecular weight of 323.42 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpyrazol-1-yl)-N-(2-phenylsulfanylphenyl)acetamide is sourced from PubChem (CID 19526400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).