2-(4-fluorophenyl)sulfanyl-N-(1-methylpyrazol-3-yl)acetamide

C12H12FN3OS — CID 18152531

IUPAC2-(4-fluorophenyl)sulfanyl-N-(1-methylpyrazol-3-yl)acetamide
SMILESCn1ccc(NC(=O)CSc2ccc(F)cc2)n1
InChIInChI=1S/C12H12FN3OS/c1-16-7-6-11(15-16)14-12(17)8-18-10-4-2-9(13)3-5-10/h2-7H,8H2,1H3,(H,14,15,17)
InChIKeyGYIKJEHIKYWQQI-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.29
Rot. Bonds4

About 2-(4-fluorophenyl)sulfanyl-N-(1-methylpyrazol-3-yl)acetamide

2-(4-fluorophenyl)sulfanyl-N-(1-methylpyrazol-3-yl)acetamide (PubChem CID 18152531) has the molecular formula C12H12FN3OS and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-(1-methylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-(1-methylpyrazol-3-yl)acetamide
PubChem CID18152531
Molecular FormulaC12H12FN3OS
Molecular Weight265.31 g/mol
Exact Mass265.07
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-(1-methylpyrazol-3-yl)acetamide
SMILESCn1ccc(NC(=O)CSc2ccc(F)cc2)n1
InChIInChI=1S/C12H12FN3OS/c1-16-7-6-11(15-16)14-12(17)8-18-10-4-2-9(13)3-5-10/h2-7H,8H2,1H3,(H,14,15,17)
InChIKeyGYIKJEHIKYWQQI-UHFFFAOYSA-N
XLogP2.29
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-fluorophenyl)sulfanyl-N-(1-methylpyrazol-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-fluorophenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 2824699
ethyl N-[2-(4-fluorophenyl)sulfanylacetyl]carbamate
CID 2635095
3,3-difluoro-N-(1-methylpyrazol-3-yl)propanamide
CID 177229835
2-(4-fluorophenyl)sulfanyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide
CID 47405014
N-(2,6-difluorophenyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 7284421
2-(2-fluorophenyl)-N-(1-methylpyrazol-3-yl)acetamide
CID 16622031
N-(4-acetylphenyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 2194131
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(4-fluorophenyl)sulfanylacetamide
CID 4791415
N'-[2-(4-fluorophenyl)sulfanylacetyl]-2-(4-methylphenyl)sulfanylacetohydrazide
CID 7970067
2-(4-chlorophenyl)sulfanyl-N-(4-fluorophenyl)acetamide
CID 738704
2-(4-fluorophenyl)sulfanyl-N-(1H-pyrazol-4-yl)acetamide
CID 43429344
2-(4-fluorophenyl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 29369356

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-(1-methylpyrazol-3-yl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-(1-methylpyrazol-3-yl)acetamide (CID 18152531) is 2-(4-fluorophenyl)sulfanyl-N-(1-methylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-(1-methylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-(1-methylpyrazol-3-yl)acetamide is Cn1ccc(NC(=O)CSc2ccc(F)cc2)n1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-(1-methylpyrazol-3-yl)acetamide?
The InChIKey is GYIKJEHIKYWQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3OS/c1-16-7-6-11(15-16)14-12(17)8-18-10-4-2-9(13)3-5-10/h2-7H,8H2,1H3,(H,14,15,17).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-(1-methylpyrazol-3-yl)acetamide?
2-(4-fluorophenyl)sulfanyl-N-(1-methylpyrazol-3-yl)acetamide has a molecular weight of 265.31 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N-(1-methylpyrazol-3-yl)acetamide is sourced from PubChem (CID 18152531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).