N-(2-cyclopentylpyrazol-3-yl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide

C18H22FN3O2S — CID 86907916

IUPACN-(2-cyclopentylpyrazol-3-yl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide
SMILESCOc1ccc(F)cc1CSCC(=O)Nc1ccnn1C1CCCC1
InChIInChI=1S/C18H22FN3O2S/c1-24-16-7-6-14(19)10-13(16)11-25-12-18(23)21-17-8-9-20-22(17)15-4-2-3-5-15/h6-10,15H,2-5,11-12H2,1H3,(H,21,23)
InChIKeySYWLDQDESRMBIZ-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.02
Rot. Bonds7

About N-(2-cyclopentylpyrazol-3-yl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide

N-(2-cyclopentylpyrazol-3-yl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide (PubChem CID 86907916) has the molecular formula C18H22FN3O2S and a molecular weight of 363.46 g/mol. Its IUPAC name is N-(2-cyclopentylpyrazol-3-yl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-cyclopentylpyrazol-3-yl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide
PubChem CID86907916
Molecular FormulaC18H22FN3O2S
Molecular Weight363.46 g/mol
Exact Mass363.14
IUPAC NameN-(2-cyclopentylpyrazol-3-yl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide
SMILESCOc1ccc(F)cc1CSCC(=O)Nc1ccnn1C1CCCC1
InChIInChI=1S/C18H22FN3O2S/c1-24-16-7-6-14(19)10-13(16)11-25-12-18(23)21-17-8-9-20-22(17)15-4-2-3-5-15/h6-10,15H,2-5,11-12H2,1H3,(H,21,23)
InChIKeySYWLDQDESRMBIZ-UHFFFAOYSA-N
XLogP4.02
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-N-(4-fluorophenyl)acetamide
CID 8965975
2-[(3-chlorophenyl)methylsulfanyl]-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 112763552
N-(2-cyclohexylpyrazol-3-yl)-3-(2-methoxyphenoxy)propanamide
CID 78772110
2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 8966348
N-(2-cyclopentylpyrazol-3-yl)-3,4,5-trimethoxybenzamide
CID 8781434
N-(4-bromophenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide
CID 8965927
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-[(2,4-dimethoxyphenyl)methyl]-methylazanium
CID 8845555
N-(2-cyclopentylpyrazol-3-yl)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 8871753
N-(3,4-diethoxyphenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide
CID 8966690
N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide
CID 11935118
4-[[2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetyl]amino]benzamide
CID 8966272
N-(2,4-dimethylphenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide
CID 8966249

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylpyrazol-3-yl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-(2-cyclopentylpyrazol-3-yl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide (CID 86907916) is N-(2-cyclopentylpyrazol-3-yl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(2-cyclopentylpyrazol-3-yl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-(2-cyclopentylpyrazol-3-yl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide is COc1ccc(F)cc1CSCC(=O)Nc1ccnn1C1CCCC1.
What is the InChIKey of N-(2-cyclopentylpyrazol-3-yl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide?
The InChIKey is SYWLDQDESRMBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2S/c1-24-16-7-6-14(19)10-13(16)11-25-12-18(23)21-17-8-9-20-22(17)15-4-2-3-5-15/h6-10,15H,2-5,11-12H2,1H3,(H,21,23).
What are the key properties of N-(2-cyclopentylpyrazol-3-yl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide?
N-(2-cyclopentylpyrazol-3-yl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide has a molecular weight of 363.46 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylpyrazol-3-yl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 86907916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).