N-[4-[1-(5-methoxythiophene-2-carbonyl)piperidin-4-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide

C26H25F3N2O3S — CID 171681483

IUPACN-[4-[1-(5-methoxythiophene-2-carbonyl)piperidin-4-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccc(C(=O)N2CCC(c3ccc(NC(=O)Cc4ccc(C(F)(F)F)cc4)cc3)CC2)s1
InChIInChI=1S/C26H25F3N2O3S/c1-34-24-11-10-22(35-24)25(33)31-14-12-19(13-15-31)18-4-8-21(9-5-18)30-23(32)16-17-2-6-20(7-3-17)26(27,28)29/h2-11,19H,12-16H2,1H3,(H,30,32)
InChIKeyCYZPMRLFAFJXQR-UHFFFAOYSA-N
MW502.56 g/mol
LogP5.98
Rot. Bonds6

About N-[4-[1-(5-methoxythiophene-2-carbonyl)piperidin-4-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide

N-[4-[1-(5-methoxythiophene-2-carbonyl)piperidin-4-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 171681483) has the molecular formula C26H25F3N2O3S and a molecular weight of 502.56 g/mol. Its IUPAC name is N-[4-[1-(5-methoxythiophene-2-carbonyl)piperidin-4-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[1-(5-methoxythiophene-2-carbonyl)piperidin-4-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID171681483
Molecular FormulaC26H25F3N2O3S
Molecular Weight502.56 g/mol
Exact Mass502.15
IUPAC NameN-[4-[1-(5-methoxythiophene-2-carbonyl)piperidin-4-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccc(C(=O)N2CCC(c3ccc(NC(=O)Cc4ccc(C(F)(F)F)cc4)cc3)CC2)s1
InChIInChI=1S/C26H25F3N2O3S/c1-34-24-11-10-22(35-24)25(33)31-14-12-19(13-15-31)18-4-8-21(9-5-18)30-23(32)16-17-2-6-20(7-3-17)26(27,28)29/h2-11,19H,12-16H2,1H3,(H,30,32)
InChIKeyCYZPMRLFAFJXQR-UHFFFAOYSA-N
XLogP5.98
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.56
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[1-(3-acetamido-4-methoxybenzoyl)piperidin-4-yl]phenyl]-2-(4-propan-2-ylphenyl)acetamide
CID 171683710
N-(4-acetamidophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51271866
2-(4-ethylsulfonylphenyl)-N-[4-[5-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]phenyl]acetamide
CID 146298098
2-(4-hydroxyphenyl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 14879849
N-[4-[1-(3-methoxy-5-methylbenzoyl)piperidin-4-yl]phenyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide
CID 171683165
2-(4-chloro-2-methoxyphenyl)-N-[4-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]phenyl]acetamide
CID 171681053
N-[4-[1-(quinazoline-6-carbonyl)piperidin-4-yl]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 171685190
N-(4-iodophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24534873
2-(4-ethylsulfonylphenyl)-N-[4-[(2S)-2-(fluoromethoxymethyl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]phenyl]acetamide
CID 146298223
2-methyl-2-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenyl]propanoic acid
CID 119253975
N'-(4-fluorophenyl)-N-[4-[1-[2-(4-methoxy-3-methylphenyl)acetyl]piperidin-4-yl]phenyl]propanediamide
CID 171678318
N-(2-methoxypyrimidin-5-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 122301631

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(5-methoxythiophene-2-carbonyl)piperidin-4-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[4-[1-(5-methoxythiophene-2-carbonyl)piperidin-4-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide (CID 171681483) is N-[4-[1-(5-methoxythiophene-2-carbonyl)piperidin-4-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[4-[1-(5-methoxythiophene-2-carbonyl)piperidin-4-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[4-[1-(5-methoxythiophene-2-carbonyl)piperidin-4-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide is COc1ccc(C(=O)N2CCC(c3ccc(NC(=O)Cc4ccc(C(F)(F)F)cc4)cc3)CC2)s1.
What is the InChIKey of N-[4-[1-(5-methoxythiophene-2-carbonyl)piperidin-4-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is CYZPMRLFAFJXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N2O3S/c1-34-24-11-10-22(35-24)25(33)31-14-12-19(13-15-31)18-4-8-21(9-5-18)30-23(32)16-17-2-6-20(7-3-17)26(27,28)29/h2-11,19H,12-16H2,1H3,(H,30,32).
What are the key properties of N-[4-[1-(5-methoxythiophene-2-carbonyl)piperidin-4-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
N-[4-[1-(5-methoxythiophene-2-carbonyl)piperidin-4-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 502.56 g/mol, XLogP of 5.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(5-methoxythiophene-2-carbonyl)piperidin-4-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 171681483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).