N-[3-[[2-methyl-5-oxo-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]-2-piperidin-1-ylacetamide

C20H25F3N4O2S2 — CID 90686450

IUPACN-[3-[[2-methyl-5-oxo-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]-2-piperidin-1-ylacetamide
SMILESCn1[nH]c(=O)c(Cc2c(NC(=O)CN3CCCCC3)sc3c2CCSC3)c1C(F)(F)F
InChIInChI=1S/C20H25F3N4O2S2/c1-26-17(20(21,22)23)14(18(29)25-26)9-13-12-5-8-30-11-15(12)31-19(13)24-16(28)10-27-6-3-2-4-7-27/h2-11H2,1H3,(H,24,28)(H,25,29)
InChIKeyCZXSFCLDYFSQDE-UHFFFAOYSA-N
MW474.57 g/mol
LogP3.60
Rot. Bonds5

About N-[3-[[2-methyl-5-oxo-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]-2-piperidin-1-ylacetamide

N-[3-[[2-methyl-5-oxo-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]-2-piperidin-1-ylacetamide (PubChem CID 90686450) has the molecular formula C20H25F3N4O2S2 and a molecular weight of 474.57 g/mol. Its IUPAC name is N-[3-[[2-methyl-5-oxo-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[3-[[2-methyl-5-oxo-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]-2-piperidin-1-ylacetamide
PubChem CID90686450
Molecular FormulaC20H25F3N4O2S2
Molecular Weight474.57 g/mol
Exact Mass474.14
IUPAC NameN-[3-[[2-methyl-5-oxo-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]-2-piperidin-1-ylacetamide
SMILESCn1[nH]c(=O)c(Cc2c(NC(=O)CN3CCCCC3)sc3c2CCSC3)c1C(F)(F)F
InChIInChI=1S/C20H25F3N4O2S2/c1-26-17(20(21,22)23)14(18(29)25-26)9-13-12-5-8-30-11-15(12)31-19(13)24-16(28)10-27-6-3-2-4-7-27/h2-11H2,1H3,(H,24,28)(H,25,29)
InChIKeyCZXSFCLDYFSQDE-UHFFFAOYSA-N
XLogP3.60
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.57
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-[[2-methyl-5-oxo-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]-2-piperidin-1-ylacetamide with MolForge

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Related Compounds

N-[3-(4-phenylbenzoyl)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]-2-piperidin-1-ylacetamide
CID 10322765
methyl 2-[(2-pyrrolidin-1-ylacetyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
CID 22197541
methyl 2-[[2-(azepan-1-yl)acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CID 17265547
2-(azepan-1-yl)-N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
CID 1079410
methyl 2-[[2-(azepan-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;oxalic acid
CID 17481838
2-[(2,2,2-trifluoroacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylic acid
CID 87625682
N-[3-(4-chlorobenzoyl)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 10479605
2-(azocan-1-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
CID 8583837
N-[3-(3-chlorobenzoyl)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]-2-(3-hydroxypiperidin-1-yl)acetamide
CID 10321556
N-[3-(hydroxymethyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 52945134
N-[3-(piperidin-1-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide
CID 745968
2-(azocan-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 8583785

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-methyl-5-oxo-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]-2-piperidin-1-ylacetamide?
The IUPAC name of N-[3-[[2-methyl-5-oxo-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]-2-piperidin-1-ylacetamide (CID 90686450) is N-[3-[[2-methyl-5-oxo-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[3-[[2-methyl-5-oxo-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[3-[[2-methyl-5-oxo-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]-2-piperidin-1-ylacetamide is Cn1[nH]c(=O)c(Cc2c(NC(=O)CN3CCCCC3)sc3c2CCSC3)c1C(F)(F)F.
What is the InChIKey of N-[3-[[2-methyl-5-oxo-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]-2-piperidin-1-ylacetamide?
The InChIKey is CZXSFCLDYFSQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N4O2S2/c1-26-17(20(21,22)23)14(18(29)25-26)9-13-12-5-8-30-11-15(12)31-19(13)24-16(28)10-27-6-3-2-4-7-27/h2-11H2,1H3,(H,24,28)(H,25,29).
What are the key properties of N-[3-[[2-methyl-5-oxo-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]-2-piperidin-1-ylacetamide?
N-[3-[[2-methyl-5-oxo-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]-2-piperidin-1-ylacetamide has a molecular weight of 474.57 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-methyl-5-oxo-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]-2-piperidin-1-ylacetamide is sourced from PubChem (CID 90686450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).