N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C19H23F3N4O4S — CID 26265747

IUPACN-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C19H23F3N4O4S/c1-2-30-16-7-6-14(31(28,29)26-9-4-3-5-10-26)12-15(16)23-18(27)13-25-11-8-17(24-25)19(20,21)22/h6-8,11-12H,2-5,9-10,13H2,1H3,(H,23,27)
InChIKeyIGRUXDCLFVKMCL-UHFFFAOYSA-N
MW460.48 g/mol
LogP3.11
Rot. Bonds7

About N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 26265747) has the molecular formula C19H23F3N4O4S and a molecular weight of 460.48 g/mol. Its IUPAC name is N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID26265747
Molecular FormulaC19H23F3N4O4S
Molecular Weight460.48 g/mol
Exact Mass460.14
IUPAC NameN-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C19H23F3N4O4S/c1-2-30-16-7-6-14(31(28,29)26-9-4-3-5-10-26)12-15(16)23-18(27)13-25-11-8-17(24-25)19(20,21)22/h6-8,11-12H,2-5,9-10,13H2,1H3,(H,23,27)
InChIKeyIGRUXDCLFVKMCL-UHFFFAOYSA-N
XLogP3.11
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.48
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,5-dioxopyrrolidin-1-yl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 9006752
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 26931166
N-[5-(azepan-1-ylsulfonyl)-2-ethoxyphenyl]acetamide
CID 6458874
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-methylbutanamide
CID 26265845
2-(3,4-dichlorophenyl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4801115
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-piperidin-1-ylacetamide
CID 8894862
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-(4-pyrrol-1-ylphenyl)acetamide
CID 31911227
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3,5-dimethylbenzamide
CID 7761104
N-[5-(azepan-1-ylsulfonyl)-2-(2,2,2-trifluoroethoxy)phenyl]-2-(2-methoxyethoxy)acetamide
CID 43037505
trans-(1R,2R)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylcyclopropane-1-carboxamide
CID 8892125
N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 27209925
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-[2-(2-methylphenyl)pyrrolidin-1-yl]acetamide
CID 55840123

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 26265747) is N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cn1ccc(C(F)(F)F)n1.
What is the InChIKey of N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is IGRUXDCLFVKMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N4O4S/c1-2-30-16-7-6-14(31(28,29)26-9-4-3-5-10-26)12-15(16)23-18(27)13-25-11-8-17(24-25)19(20,21)22/h6-8,11-12H,2-5,9-10,13H2,1H3,(H,23,27).
What are the key properties of N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 460.48 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 26265747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).