N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide

C22H25F3N4OS — CID 25389246

IUPACN-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
SMILESCC1CCN([C@@H](CNC(=O)Cn2c(C(F)(F)F)nc3ccccc32)c2cccs2)CC1
InChIInChI=1S/C22H25F3N4OS/c1-15-8-10-28(11-9-15)18(19-7-4-12-31-19)13-26-20(30)14-29-17-6-3-2-5-16(17)27-21(29)22(23,24)25/h2-7,12,15,18H,8-11,13-14H2,1H3,(H,26,30)/t18-/m0/s1
InChIKeyJMXXZRHHGFAEMC-SFHVURJKSA-N
MW450.53 g/mol
LogP4.71
Rot. Bonds6

About N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide

N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide (PubChem CID 25389246) has the molecular formula C22H25F3N4OS and a molecular weight of 450.53 g/mol. Its IUPAC name is N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
PubChem CID25389246
Molecular FormulaC22H25F3N4OS
Molecular Weight450.53 g/mol
Exact Mass450.17
IUPAC NameN-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
SMILESCC1CCN([C@@H](CNC(=O)Cn2c(C(F)(F)F)nc3ccccc32)c2cccs2)CC1
InChIInChI=1S/C22H25F3N4OS/c1-15-8-10-28(11-9-15)18(19-7-4-12-31-19)13-26-20(30)14-29-17-6-3-2-5-16(17)27-21(29)22(23,24)25/h2-7,12,15,18H,8-11,13-14H2,1H3,(H,26,30)/t18-/m0/s1
InChIKeyJMXXZRHHGFAEMC-SFHVURJKSA-N
XLogP4.71
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.53
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(9-oxoacridin-10-yl)acetamide
CID 46603423
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CID 55349930
2-(2,4-dioxoquinazolin-1-yl)-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 51927628
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CID 119830777
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
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CID 87000650
N-cyclopropyl-2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]acetamide
CID 18163659
4-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]butanamide;dihydrochloride
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2-(2-methoxyphenyl)-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 43006350
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 17496137
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]pyridine-2-carboxamide
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N-[2-[[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-2-oxoethyl]adamantane-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide (CID 25389246) is N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide is CC1CCN([C@@H](CNC(=O)Cn2c(C(F)(F)F)nc3ccccc32)c2cccs2)CC1.
What is the InChIKey of N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The InChIKey is JMXXZRHHGFAEMC-SFHVURJKSA-N. The full InChI is InChI=1S/C22H25F3N4OS/c1-15-8-10-28(11-9-15)18(19-7-4-12-31-19)13-26-20(30)14-29-17-6-3-2-5-16(17)27-21(29)22(23,24)25/h2-7,12,15,18H,8-11,13-14H2,1H3,(H,26,30)/t18-/m0/s1.
What are the key properties of N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide has a molecular weight of 450.53 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 25389246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).