2-(4-fluorophenyl)sulfanyl-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide

C16H14FN3OS2 — CID 17401210

IUPAC2-(4-fluorophenyl)sulfanyl-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
SMILESO=C(CSc1ccc(F)cc1)Nc1ccnn1Cc1cccs1
InChIInChI=1S/C16H14FN3OS2/c17-12-3-5-13(6-4-12)23-11-16(21)19-15-7-8-18-20(15)10-14-2-1-9-22-14/h1-9H,10-11H2,(H,19,21)
InChIKeyQQQJFLDFSZWRBN-UHFFFAOYSA-N
MW347.44 g/mol
LogP3.86
Rot. Bonds6

About 2-(4-fluorophenyl)sulfanyl-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide

2-(4-fluorophenyl)sulfanyl-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide (PubChem CID 17401210) has the molecular formula C16H14FN3OS2 and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
PubChem CID17401210
Molecular FormulaC16H14FN3OS2
Molecular Weight347.44 g/mol
Exact Mass347.06
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
SMILESO=C(CSc1ccc(F)cc1)Nc1ccnn1Cc1cccs1
InChIInChI=1S/C16H14FN3OS2/c17-12-3-5-13(6-4-12)23-11-16(21)19-15-7-8-18-20(15)10-14-2-1-9-22-14/h1-9H,10-11H2,(H,19,21)
InChIKeyQQQJFLDFSZWRBN-UHFFFAOYSA-N
XLogP3.86
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(thiophen-2-ylmethyl)-1H-pyrazol-5-amine
CID 2517659
N-(2-butan-2-ylpyrazol-3-yl)-2-(2-fluorophenyl)sulfanylpropanamide
CID 4876179
2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 8084588
N-(1-(2-hydroxyethyl)-3-(thiophen-2-yl)-1H-pyrazol-5-yl)-3-(phenylthio)propanamide
CID 49677521
4-Oxo-4-[[2-(1-thiophen-2-ylethyl)pyrazol-3-yl]amino]butanoic acid
CID 16259572
2-phenyl-2-phenylsulfanyl-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
CID 16288338
N-(1-phenylpyrazol-3-yl)-2-phenylsulfanylacetamide
CID 46171821
N-[2-[(5-bromothiophen-2-yl)methyl]pyrazol-3-yl]-3-sulfanylpropanamide
CID 177681339
N-(2-cyclopentylpyrazol-3-yl)-2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 8674340
N-(2-cyclopentylpyrazol-3-yl)-2-[[(1S)-1-thiophen-2-ylethyl]amino]acetamide
CID 25983632
2-(2,5-difluorophenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 42890807
2-(2,5-difluorophenyl)sulfanyl-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 53511872

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide (CID 17401210) is 2-(4-fluorophenyl)sulfanyl-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide is O=C(CSc1ccc(F)cc1)Nc1ccnn1Cc1cccs1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide?
The InChIKey is QQQJFLDFSZWRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3OS2/c17-12-3-5-13(6-4-12)23-11-16(21)19-15-7-8-18-20(15)10-14-2-1-9-22-14/h1-9H,10-11H2,(H,19,21).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide?
2-(4-fluorophenyl)sulfanyl-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide has a molecular weight of 347.44 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 17401210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).