2-[(3-chlorophenyl)methylsulfanyl]-N-(2-cyclopentylpyrazol-3-yl)acetamide

C17H20ClN3OS — CID 112763552

IUPAC2-[(3-chlorophenyl)methylsulfanyl]-N-(2-cyclopentylpyrazol-3-yl)acetamide
SMILESO=C(CSCc1cccc(Cl)c1)Nc1ccnn1C1CCCC1
InChIInChI=1S/C17H20ClN3OS/c18-14-5-3-4-13(10-14)11-23-12-17(22)20-16-8-9-19-21(16)15-6-1-2-7-15/h3-5,8-10,15H,1-2,6-7,11-12H2,(H,20,22)
InChIKeyAYRBLKNXWCZGAV-UHFFFAOYSA-N
MW349.89 g/mol
LogP4.52
Rot. Bonds6

About 2-[(3-chlorophenyl)methylsulfanyl]-N-(2-cyclopentylpyrazol-3-yl)acetamide

2-[(3-chlorophenyl)methylsulfanyl]-N-(2-cyclopentylpyrazol-3-yl)acetamide (PubChem CID 112763552) has the molecular formula C17H20ClN3OS and a molecular weight of 349.89 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methylsulfanyl]-N-(2-cyclopentylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methylsulfanyl]-N-(2-cyclopentylpyrazol-3-yl)acetamide
PubChem CID112763552
Molecular FormulaC17H20ClN3OS
Molecular Weight349.89 g/mol
Exact Mass349.10
IUPAC Name2-[(3-chlorophenyl)methylsulfanyl]-N-(2-cyclopentylpyrazol-3-yl)acetamide
SMILESO=C(CSCc1cccc(Cl)c1)Nc1ccnn1C1CCCC1
InChIInChI=1S/C17H20ClN3OS/c18-14-5-3-4-13(10-14)11-23-12-17(22)20-16-8-9-19-21(16)15-6-1-2-7-15/h3-5,8-10,15H,1-2,6-7,11-12H2,(H,20,22)
InChIKeyAYRBLKNXWCZGAV-UHFFFAOYSA-N
XLogP4.52
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.89
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenoxy)-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 35142597
2-(4-chlorophenyl)sulfanyl-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 7816349
N-(2-cyclopentylpyrazol-3-yl)-2-phenylsulfanylacetamide
CID 31235798
2-[(3-chlorophenyl)methylsulfanyl]-N-pyridin-4-ylacetamide
CID 27700031
N-(2-cyclopentylpyrazol-3-yl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide
CID 86907916
2-chloro-N-(2-cyclobutylpyrazol-3-yl)acetamide
CID 166407634
2-(2-chloro-6-fluorophenyl)-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 8819868
N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-[(4-cyanophenyl)methylsulfanyl]acetamide
CID 71941114
2-(4-chlorophenyl)sulfonyl-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 99180754
N-(2-cyclopentylpyrazol-3-yl)-2-(4-propan-2-ylphenyl)sulfanylacetamide
CID 35064432
2-cyano-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 110470108
2-(2-chlorophenoxy)-N-(2-cyclohexylpyrazol-3-yl)acetamide
CID 51145877

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methylsulfanyl]-N-(2-cyclopentylpyrazol-3-yl)acetamide?
The IUPAC name of 2-[(3-chlorophenyl)methylsulfanyl]-N-(2-cyclopentylpyrazol-3-yl)acetamide (CID 112763552) is 2-[(3-chlorophenyl)methylsulfanyl]-N-(2-cyclopentylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[(3-chlorophenyl)methylsulfanyl]-N-(2-cyclopentylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-[(3-chlorophenyl)methylsulfanyl]-N-(2-cyclopentylpyrazol-3-yl)acetamide is O=C(CSCc1cccc(Cl)c1)Nc1ccnn1C1CCCC1.
What is the InChIKey of 2-[(3-chlorophenyl)methylsulfanyl]-N-(2-cyclopentylpyrazol-3-yl)acetamide?
The InChIKey is AYRBLKNXWCZGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3OS/c18-14-5-3-4-13(10-14)11-23-12-17(22)20-16-8-9-19-21(16)15-6-1-2-7-15/h3-5,8-10,15H,1-2,6-7,11-12H2,(H,20,22).
What are the key properties of 2-[(3-chlorophenyl)methylsulfanyl]-N-(2-cyclopentylpyrazol-3-yl)acetamide?
2-[(3-chlorophenyl)methylsulfanyl]-N-(2-cyclopentylpyrazol-3-yl)acetamide has a molecular weight of 349.89 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methylsulfanyl]-N-(2-cyclopentylpyrazol-3-yl)acetamide is sourced from PubChem (CID 112763552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).