2-phenylsulfanyl-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide

C16H14N4OS — CID 38749928

IUPAC2-phenylsulfanyl-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide
SMILESO=C(CSc1ccccc1)Nc1cccnc1-n1cccn1
InChIInChI=1S/C16H14N4OS/c21-15(12-22-13-6-2-1-3-7-13)19-14-8-4-9-17-16(14)20-11-5-10-18-20/h1-11H,12H2,(H,19,21)
InChIKeyIAZIILFJXXXICS-UHFFFAOYSA-N
MW310.38 g/mol
LogP3.00
Rot. Bonds5

About 2-phenylsulfanyl-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide

2-phenylsulfanyl-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide (PubChem CID 38749928) has the molecular formula C16H14N4OS and a molecular weight of 310.38 g/mol. Its IUPAC name is 2-phenylsulfanyl-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-phenylsulfanyl-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide
PubChem CID38749928
Molecular FormulaC16H14N4OS
Molecular Weight310.38 g/mol
Exact Mass310.09
IUPAC Name2-phenylsulfanyl-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide
SMILESO=C(CSc1ccccc1)Nc1cccnc1-n1cccn1
InChIInChI=1S/C16H14N4OS/c21-15(12-22-13-6-2-1-3-7-13)19-14-8-4-9-17-16(14)20-11-5-10-18-20/h1-11H,12H2,(H,19,21)
InChIKeyIAZIILFJXXXICS-UHFFFAOYSA-N
XLogP3.00
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-bromophenyl)sulfanyl-N-(2-pyrazol-1-yl-3-pyridinyl)propanamide
CID 60567720
5-bromo-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide
CID 107909063
7-amino-N-(2-pyrazol-1-yl-3-pyridinyl)heptanamide
CID 43714218
2-(cyclopropylamino)-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide
CID 60842702
3-methyl-5-oxo-5-[(2-pyrazol-1-yl-3-pyridinyl)amino]pentanoic acid
CID 62966283
2-(1-phenylpyrazol-4-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide
CID 39166946
2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide
CID 55632821
5-amino-4-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide
CID 82011031
1-[2-(4-chlorophenyl)sulfanylethyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea
CID 78879904
2-(4-chlorophenoxy)-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide
CID 30884754
4-(2-methylphenoxy)-N-(2-pyrazol-1-yl-3-pyridinyl)butanamide
CID 30887020
4-(2-ethoxyphenoxy)-N-(2-pyrazol-1-yl-3-pyridinyl)butanamide
CID 30884899

Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanyl-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide?
The IUPAC name of 2-phenylsulfanyl-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide (CID 38749928) is 2-phenylsulfanyl-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide.
What is the SMILES notation for 2-phenylsulfanyl-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide?
The canonical SMILES for 2-phenylsulfanyl-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide is O=C(CSc1ccccc1)Nc1cccnc1-n1cccn1.
What is the InChIKey of 2-phenylsulfanyl-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide?
The InChIKey is IAZIILFJXXXICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4OS/c21-15(12-22-13-6-2-1-3-7-13)19-14-8-4-9-17-16(14)20-11-5-10-18-20/h1-11H,12H2,(H,19,21).
What are the key properties of 2-phenylsulfanyl-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide?
2-phenylsulfanyl-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide has a molecular weight of 310.38 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanyl-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide is sourced from PubChem (CID 38749928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).