2-(4-piperidin-1-ylsulfonylimidazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide

C17H19F3N4O3S — CID 20949449

IUPAC2-(4-piperidin-1-ylsulfonylimidazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cn1cnc(S(=O)(=O)N2CCCCC2)c1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C17H19F3N4O3S/c18-17(19,20)13-6-2-3-7-14(13)22-15(25)10-23-11-16(21-12-23)28(26,27)24-8-4-1-5-9-24/h2-3,6-7,11-12H,1,4-5,8-10H2,(H,22,25)
InChIKeyFGFXIRLZWJNWJZ-UHFFFAOYSA-N
MW416.43 g/mol
LogP2.72
Rot. Bonds5

About 2-(4-piperidin-1-ylsulfonylimidazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide

2-(4-piperidin-1-ylsulfonylimidazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 20949449) has the molecular formula C17H19F3N4O3S and a molecular weight of 416.43 g/mol. Its IUPAC name is 2-(4-piperidin-1-ylsulfonylimidazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-piperidin-1-ylsulfonylimidazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID20949449
Molecular FormulaC17H19F3N4O3S
Molecular Weight416.43 g/mol
Exact Mass416.11
IUPAC Name2-(4-piperidin-1-ylsulfonylimidazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cn1cnc(S(=O)(=O)N2CCCCC2)c1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C17H19F3N4O3S/c18-17(19,20)13-6-2-3-7-14(13)22-15(25)10-23-11-16(21-12-23)28(26,27)24-8-4-1-5-9-24/h2-3,6-7,11-12H,1,4-5,8-10H2,(H,22,25)
InChIKeyFGFXIRLZWJNWJZ-UHFFFAOYSA-N
XLogP2.72
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-difluorophenyl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide
CID 20947087
N-[2-(trifluoromethyl)phenyl]-2-[4-[2-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepan-1-yl]acetamide
CID 3722785
N-(3-methylphenyl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide
CID 20949569
2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 8583773
N-(2-methylphenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide
CID 20949659
N-[(2-methoxyphenyl)methyl]-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide
CID 20947129
N-(4-ethoxyphenyl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide
CID 20949492
2-(4-pyrrolidin-1-ylsulfonylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 45374722
N-(4-propan-2-ylphenyl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide
CID 20947133
2-[azepan-1-ylsulfonyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 30287064
N-[(5-methylfuran-2-yl)methyl]-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide
CID 20949556
N-benzyl-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide
CID 20949850

Frequently Asked Questions

What is the IUPAC name of 2-(4-piperidin-1-ylsulfonylimidazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(4-piperidin-1-ylsulfonylimidazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide (CID 20949449) is 2-(4-piperidin-1-ylsulfonylimidazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-piperidin-1-ylsulfonylimidazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-piperidin-1-ylsulfonylimidazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide is O=C(Cn1cnc(S(=O)(=O)N2CCCCC2)c1)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-(4-piperidin-1-ylsulfonylimidazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is FGFXIRLZWJNWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O3S/c18-17(19,20)13-6-2-3-7-14(13)22-15(25)10-23-11-16(21-12-23)28(26,27)24-8-4-1-5-9-24/h2-3,6-7,11-12H,1,4-5,8-10H2,(H,22,25).
What are the key properties of 2-(4-piperidin-1-ylsulfonylimidazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
2-(4-piperidin-1-ylsulfonylimidazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 416.43 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-piperidin-1-ylsulfonylimidazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 20949449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).