N-(2-cyclopentylpyrazol-3-yl)-2-(2,4-difluorophenyl)sulfanylacetamide

C16H17F2N3OS — CID 8771027

IUPACN-(2-cyclopentylpyrazol-3-yl)-2-(2,4-difluorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc(F)cc1F)Nc1ccnn1C1CCCC1
InChIInChI=1S/C16H17F2N3OS/c17-11-5-6-14(13(18)9-11)23-10-16(22)20-15-7-8-19-21(15)12-3-1-2-4-12/h5-9,12H,1-4,10H2,(H,20,22)
InChIKeyMSDWRIVDAFAGCV-UHFFFAOYSA-N
MW337.40 g/mol
LogP4.01
Rot. Bonds5

About N-(2-cyclopentylpyrazol-3-yl)-2-(2,4-difluorophenyl)sulfanylacetamide

N-(2-cyclopentylpyrazol-3-yl)-2-(2,4-difluorophenyl)sulfanylacetamide (PubChem CID 8771027) has the molecular formula C16H17F2N3OS and a molecular weight of 337.40 g/mol. Its IUPAC name is N-(2-cyclopentylpyrazol-3-yl)-2-(2,4-difluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-cyclopentylpyrazol-3-yl)-2-(2,4-difluorophenyl)sulfanylacetamide
PubChem CID8771027
Molecular FormulaC16H17F2N3OS
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC NameN-(2-cyclopentylpyrazol-3-yl)-2-(2,4-difluorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc(F)cc1F)Nc1ccnn1C1CCCC1
InChIInChI=1S/C16H17F2N3OS/c17-11-5-6-14(13(18)9-11)23-10-16(22)20-15-7-8-19-21(15)12-3-1-2-4-12/h5-9,12H,1-4,10H2,(H,20,22)
InChIKeyMSDWRIVDAFAGCV-UHFFFAOYSA-N
XLogP4.01
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-cyclopentylpyrazol-3-yl)-2-(2,4-difluorophenyl)sulfanylacetamide 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-(2-cyclopentylpyrazol-3-yl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide
CID 86907916
2-(4-chlorophenyl)sulfanyl-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 7816349
N-(2-cyclopentylpyrazol-3-yl)-2-phenylsulfanylacetamide
CID 31235798
N-(2-cyclopentylpyrazol-3-yl)-2-(4-propan-2-ylphenyl)sulfanylacetamide
CID 35064432
N-(2-cyclohexylpyrazol-3-yl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 134037686
N-(2-cyclohexylpyrazol-3-yl)-4-fluorobenzamide
CID 51145829
2-chloro-N-(2-cyclohexylpyrazol-3-yl)-4-fluorobenzamide
CID 51145874
2-bromo-N-(2-cyclohexylpyrazol-3-yl)-4-fluorobenzamide
CID 51205719
2-chloro-N-(2-cyclobutylpyrazol-3-yl)acetamide
CID 166407634
2-(2,4-difluorophenyl)sulfanyl-N-(2-hydroxycyclohexyl)acetamide
CID 62358480
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 9140097
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 8846357

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylpyrazol-3-yl)-2-(2,4-difluorophenyl)sulfanylacetamide?
The IUPAC name of N-(2-cyclopentylpyrazol-3-yl)-2-(2,4-difluorophenyl)sulfanylacetamide (CID 8771027) is N-(2-cyclopentylpyrazol-3-yl)-2-(2,4-difluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-(2-cyclopentylpyrazol-3-yl)-2-(2,4-difluorophenyl)sulfanylacetamide?
The canonical SMILES for N-(2-cyclopentylpyrazol-3-yl)-2-(2,4-difluorophenyl)sulfanylacetamide is O=C(CSc1ccc(F)cc1F)Nc1ccnn1C1CCCC1.
What is the InChIKey of N-(2-cyclopentylpyrazol-3-yl)-2-(2,4-difluorophenyl)sulfanylacetamide?
The InChIKey is MSDWRIVDAFAGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3OS/c17-11-5-6-14(13(18)9-11)23-10-16(22)20-15-7-8-19-21(15)12-3-1-2-4-12/h5-9,12H,1-4,10H2,(H,20,22).
What are the key properties of N-(2-cyclopentylpyrazol-3-yl)-2-(2,4-difluorophenyl)sulfanylacetamide?
N-(2-cyclopentylpyrazol-3-yl)-2-(2,4-difluorophenyl)sulfanylacetamide has a molecular weight of 337.40 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylpyrazol-3-yl)-2-(2,4-difluorophenyl)sulfanylacetamide is sourced from PubChem (CID 8771027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).