N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide

C16H21F3N2O4S — CID 55712427

IUPACN-[(4-piperidin-1-ylsulfonylphenyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C16H21F3N2O4S/c17-16(18,19)12-25-11-15(22)20-10-13-4-6-14(7-5-13)26(23,24)21-8-2-1-3-9-21/h4-7H,1-3,8-12H2,(H,20,22)
InChIKeyUKTQRYYLKUWQGF-UHFFFAOYSA-N
MW394.42 g/mol
LogP2.06
Rot. Bonds7

About N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide

N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 55712427) has the molecular formula C16H21F3N2O4S and a molecular weight of 394.42 g/mol. Its IUPAC name is N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-[(4-piperidin-1-ylsulfonylphenyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID55712427
Molecular FormulaC16H21F3N2O4S
Molecular Weight394.42 g/mol
Exact Mass394.12
IUPAC NameN-[(4-piperidin-1-ylsulfonylphenyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C16H21F3N2O4S/c17-16(18,19)12-25-11-15(22)20-10-13-4-6-14(7-5-13)26(23,24)21-8-2-1-3-9-21/h4-7H,1-3,8-12H2,(H,20,22)
InChIKeyUKTQRYYLKUWQGF-UHFFFAOYSA-N
XLogP2.06
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 43875081
3-(4-piperidin-1-ylsulfonylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 27052389
2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-[(4-fluorophenyl)methyl]acetamide
CID 28554565
2,2,2-trifluoro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 108759219
3-(4-fluorophenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide
CID 18116547
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 134029023
2-(4-hydroxyphenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 78806095
N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-3,5-bis(trifluoromethyl)benzamide
CID 108759301
2,2-dimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide
CID 51198880
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 28562368
2-(4-morpholin-4-ylsulfonylphenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 28562499
2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 28562564

Frequently Asked Questions

What is the IUPAC name of N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide (CID 55712427) is N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide is O=C(COCC(F)(F)F)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is UKTQRYYLKUWQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O4S/c17-16(18,19)12-25-11-15(22)20-10-13-4-6-14(7-5-13)26(23,24)21-8-2-1-3-9-21/h4-7H,1-3,8-12H2,(H,20,22).
What are the key properties of N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 394.42 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 55712427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).