N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C17H13F4N3OS — CID 43021955

IUPACN-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)NC(c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C17H13F4N3OS/c18-12-5-3-11(4-6-12)16(13-2-1-9-26-13)22-15(25)10-24-8-7-14(23-24)17(19,20)21/h1-9,16H,10H2,(H,22,25)
InChIKeyLCNUPLBRMSWNMA-UHFFFAOYSA-N
MW383.37 g/mol
LogP4.01
Rot. Bonds5

About N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 43021955) has the molecular formula C17H13F4N3OS and a molecular weight of 383.37 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID43021955
Molecular FormulaC17H13F4N3OS
Molecular Weight383.37 g/mol
Exact Mass383.07
IUPAC NameN-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)NC(c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C17H13F4N3OS/c18-12-5-3-11(4-6-12)16(13-2-1-9-26-13)22-15(25)10-24-8-7-14(23-24)17(19,20)21/h1-9,16H,10H2,(H,22,25)
InChIKeyLCNUPLBRMSWNMA-UHFFFAOYSA-N
XLogP4.01
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.37
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 55402687
2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 55875167
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 18279784
N-[(S)-phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 31036833
N-[2-[[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 40820713
N-(4-fluorophenyl)-2-[4-[2-[[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30622575
2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 9342029
N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 41099331
N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 41099176
N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[3-(3-nitrophenyl)-1,2,4-triazol-1-yl]acetamide
CID 52516691
N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 8623450
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 24520776

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 43021955) is N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is O=C(Cn1ccc(C(F)(F)F)n1)NC(c1ccc(F)cc1)c1cccs1.
What is the InChIKey of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is LCNUPLBRMSWNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F4N3OS/c18-12-5-3-11(4-6-12)16(13-2-1-9-26-13)22-15(25)10-24-8-7-14(23-24)17(19,20)21/h1-9,16H,10H2,(H,22,25).
What are the key properties of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 383.37 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-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 43021955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).