2-(4-fluorophenyl)sulfanyl-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]acetamide

C17H16FN3OS2 — CID 86266368

IUPAC2-(4-fluorophenyl)sulfanyl-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]acetamide
SMILESO=C(CSc1ccc(F)cc1)NCCn1ccc(-c2ccsc2)n1
InChIInChI=1S/C17H16FN3OS2/c18-14-1-3-15(4-2-14)24-12-17(22)19-7-9-21-8-5-16(20-21)13-6-10-23-11-13/h1-6,8,10-11H,7,9,12H2,(H,19,22)
InChIKeyNCNIFIOTCXEFBO-UHFFFAOYSA-N
MW361.47 g/mol
LogP3.66
Rot. Bonds7

About 2-(4-fluorophenyl)sulfanyl-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]acetamide

2-(4-fluorophenyl)sulfanyl-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]acetamide (PubChem CID 86266368) has the molecular formula C17H16FN3OS2 and a molecular weight of 361.47 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]acetamide
PubChem CID86266368
Molecular FormulaC17H16FN3OS2
Molecular Weight361.47 g/mol
Exact Mass361.07
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]acetamide
SMILESO=C(CSc1ccc(F)cc1)NCCn1ccc(-c2ccsc2)n1
InChIInChI=1S/C17H16FN3OS2/c18-14-1-3-15(4-2-14)24-12-17(22)19-7-9-21-8-5-16(20-21)13-6-10-23-11-13/h1-6,8,10-11H,7,9,12H2,(H,19,22)
InChIKeyNCNIFIOTCXEFBO-UHFFFAOYSA-N
XLogP3.66
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-Cyclohexyl-2-(1,3-dimethyl-1H-pyrazol-4-yl)-2-[(4-fluoro-phenyl)-(2-thiophen-2-yl-acetyl)-amino]-acetamide
CID 3191222
N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-3-thiophenecarboxamide
CID 45184368
(E)-N-Allyl-2-cyano-3-(1-phenyl-3-thiophen-2-yl-1H-pyrazol-4-yl)-acrylamide
CID 1902746
2-(4,5,6,7-tetrahydroindazol-2-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 5308543
N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]-5-(2-methylpyrazol-3-yl)thiophene-2-carboxamide;hydrochloride
CID 155518023
N-[4-(1H-pyrazol-1-yl)phenyl]-1-(3-thienylmethyl)-4-piperidinecarboxamide
CID 24794201
N-Cyclohexyl-2-(1,3-dimethyl-1H-pyrazol-4-yl)-2-[(4-ethyl-phenyl)-(2-thiophen-2-yl-acetyl)-amino]-acetamide
CID 3191217
N-Cyclohexyl-2-(1,3-dimethyl-1H-pyrazol-4-yl)-2-[(2-thiophen-2-yl-acetyl)-o-tolyl-amino]-acetamide
CID 3191219
1-{[3-(2,5-dimethyl-3-thienyl)-1-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl}-4-piperidinecarboxamide
CID 16188372
N-[(1-{[3-(2,5-dimethyl-3-thienyl)-1-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl}-3-piperidinyl)methyl]acetamide
CID 16189185
3-[3-(3-methyl-2-thienyl)phenyl]-1-(3-pyrrolidinylmethyl)-1H-pyrazole
CID 45202806
N-[(3-fluorophenyl)-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]acetamide
CID 49778128

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]acetamide (CID 86266368) is 2-(4-fluorophenyl)sulfanyl-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]acetamide is O=C(CSc1ccc(F)cc1)NCCn1ccc(-c2ccsc2)n1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]acetamide?
The InChIKey is NCNIFIOTCXEFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3OS2/c18-14-1-3-15(4-2-14)24-12-17(22)19-7-9-21-8-5-16(20-21)13-6-10-23-11-13/h1-6,8,10-11H,7,9,12H2,(H,19,22).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]acetamide?
2-(4-fluorophenyl)sulfanyl-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]acetamide has a molecular weight of 361.47 g/mol, XLogP of 3.66, 7 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-(3-thiophen-3-ylpyrazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 86266368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).