2-(4-methoxy-3-methylphenyl)-N-(2-pyrazol-1-ylthiophen-3-yl)acetamide

C17H17N3O2S — CID 155605834

IUPAC2-(4-methoxy-3-methylphenyl)-N-(2-pyrazol-1-ylthiophen-3-yl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccsc2-n2cccn2)cc1C
InChIInChI=1S/C17H17N3O2S/c1-12-10-13(4-5-15(12)22-2)11-16(21)19-14-6-9-23-17(14)20-8-3-7-18-20/h3-10H,11H2,1-2H3,(H,19,21)
InChIKeyUGRCJEKNFUVAQN-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.43
Rot. Bonds5

About 2-(4-methoxy-3-methylphenyl)-N-(2-pyrazol-1-ylthiophen-3-yl)acetamide

2-(4-methoxy-3-methylphenyl)-N-(2-pyrazol-1-ylthiophen-3-yl)acetamide (PubChem CID 155605834) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 2-(4-methoxy-3-methylphenyl)-N-(2-pyrazol-1-ylthiophen-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-methoxy-3-methylphenyl)-N-(2-pyrazol-1-ylthiophen-3-yl)acetamide
PubChem CID155605834
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name2-(4-methoxy-3-methylphenyl)-N-(2-pyrazol-1-ylthiophen-3-yl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccsc2-n2cccn2)cc1C
InChIInChI=1S/C17H17N3O2S/c1-12-10-13(4-5-15(12)22-2)11-16(21)19-14-6-9-23-17(14)20-8-3-7-18-20/h3-10H,11H2,1-2H3,(H,19,21)
InChIKeyUGRCJEKNFUVAQN-UHFFFAOYSA-N
XLogP3.43
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-methylphenyl)-N-(2-pyrazol-1-ylthiophen-3-yl)acetamide?
The IUPAC name of 2-(4-methoxy-3-methylphenyl)-N-(2-pyrazol-1-ylthiophen-3-yl)acetamide (CID 155605834) is 2-(4-methoxy-3-methylphenyl)-N-(2-pyrazol-1-ylthiophen-3-yl)acetamide.
What is the SMILES notation for 2-(4-methoxy-3-methylphenyl)-N-(2-pyrazol-1-ylthiophen-3-yl)acetamide?
The canonical SMILES for 2-(4-methoxy-3-methylphenyl)-N-(2-pyrazol-1-ylthiophen-3-yl)acetamide is COc1ccc(CC(=O)Nc2ccsc2-n2cccn2)cc1C.
What is the InChIKey of 2-(4-methoxy-3-methylphenyl)-N-(2-pyrazol-1-ylthiophen-3-yl)acetamide?
The InChIKey is UGRCJEKNFUVAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-12-10-13(4-5-15(12)22-2)11-16(21)19-14-6-9-23-17(14)20-8-3-7-18-20/h3-10H,11H2,1-2H3,(H,19,21).
What are the key properties of 2-(4-methoxy-3-methylphenyl)-N-(2-pyrazol-1-ylthiophen-3-yl)acetamide?
2-(4-methoxy-3-methylphenyl)-N-(2-pyrazol-1-ylthiophen-3-yl)acetamide has a molecular weight of 327.41 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-methylphenyl)-N-(2-pyrazol-1-ylthiophen-3-yl)acetamide is sourced from PubChem (CID 155605834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).