2-oxo-N-[[5-[4-[[4-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-1H-pyridine-3-carboxamide

C24H25F3N4O4S2 — CID 68659108

IUPAC2-oxo-N-[[5-[4-[[4-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-1H-pyridine-3-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCC(NCc3ccc(C(F)(F)F)cc3)CC2)s1)c1ccc[nH]c1=O
InChIInChI=1S/C24H25F3N4O4S2/c25-24(26,27)17-5-3-16(4-6-17)14-29-18-9-12-31(13-10-18)37(34,35)21-8-7-19(36-21)15-30-23(33)20-2-1-11-28-22(20)32/h1-8,11,18,29H,9-10,12-15H2,(H,28,32)(H,30,33)
InChIKeyOGLWFGSKCPERGG-UHFFFAOYSA-N
MW554.62 g/mol
LogP3.33
Rot. Bonds8

About 2-oxo-N-[[5-[4-[[4-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-1H-pyridine-3-carboxamide

2-oxo-N-[[5-[4-[[4-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-1H-pyridine-3-carboxamide (PubChem CID 68659108) has the molecular formula C24H25F3N4O4S2 and a molecular weight of 554.62 g/mol. Its IUPAC name is 2-oxo-N-[[5-[4-[[4-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[[5-[4-[[4-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-1H-pyridine-3-carboxamide
PubChem CID68659108
Molecular FormulaC24H25F3N4O4S2
Molecular Weight554.62 g/mol
Exact Mass554.13
IUPAC Name2-oxo-N-[[5-[4-[[4-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-1H-pyridine-3-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCC(NCc3ccc(C(F)(F)F)cc3)CC2)s1)c1ccc[nH]c1=O
InChIInChI=1S/C24H25F3N4O4S2/c25-24(26,27)17-5-3-16(4-6-17)14-29-18-9-12-31(13-10-18)37(34,35)21-8-7-19(36-21)15-30-23(33)20-2-1-11-28-22(20)32/h1-8,11,18,29H,9-10,12-15H2,(H,28,32)(H,30,33)
InChIKeyOGLWFGSKCPERGG-UHFFFAOYSA-N
XLogP3.33
TPSA111.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.62
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[5-[4-(hexylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide;2-oxo-N-[[5-[4-[[4-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-1H-pyridine-3-carboxamide
CID 87632316
N-[[5-[4-(hexylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 68659027
4-chloro-N-[[5-[3-[[4-(trifluoromethyl)phenyl]methylamino]pyrrolidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 68659307
N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]-4-(trifluoromethyl)benzamide
CID 26061202
4-chloro-N-[[5-[4-[[4-(trifluoromethoxy)phenyl]methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 68659170
4-chloro-N-[[5-[4-(4-chloroanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-[4-(trifluoromethyl)anilino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 87631975
benzamide;N-[[5-[4-[[3,5-bis(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-methoxybenzamide
CID 160839298
4-chloro-N-[[5-[3-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 57443958
3-methoxy-N-[[5-[4-[[2-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 68659062
ethoxyethane;5-[[(3-methoxybenzoyl)amino]methyl]-2-[4-[[4-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]sulfonylthiophene-3-carboxylic acid
CID 158995693
4-fluoro-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzamide
CID 17436138
3-methoxy-N-[[5-[4-[(4-propoxyphenyl)methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 10166382

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[[5-[4-[[4-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-[[5-[4-[[4-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-1H-pyridine-3-carboxamide (CID 68659108) is 2-oxo-N-[[5-[4-[[4-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[[5-[4-[[4-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-[[5-[4-[[4-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-1H-pyridine-3-carboxamide is O=C(NCc1ccc(S(=O)(=O)N2CCC(NCc3ccc(C(F)(F)F)cc3)CC2)s1)c1ccc[nH]c1=O.
What is the InChIKey of 2-oxo-N-[[5-[4-[[4-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-1H-pyridine-3-carboxamide?
The InChIKey is OGLWFGSKCPERGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O4S2/c25-24(26,27)17-5-3-16(4-6-17)14-29-18-9-12-31(13-10-18)37(34,35)21-8-7-19(36-21)15-30-23(33)20-2-1-11-28-22(20)32/h1-8,11,18,29H,9-10,12-15H2,(H,28,32)(H,30,33).
What are the key properties of 2-oxo-N-[[5-[4-[[4-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-1H-pyridine-3-carboxamide?
2-oxo-N-[[5-[4-[[4-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-1H-pyridine-3-carboxamide has a molecular weight of 554.62 g/mol, XLogP of 3.33, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[[5-[4-[[4-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 68659108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).