N-cyclopropyl-N-(4-pyridin-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-pyridin-3-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-cyclopropyl-N-(4-thiophen-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);4-[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]cyclohexyl]benzamide

C120H135F15N8O11S2 — CID 158052744

IUPACN-cyclopropyl-N-(4-pyridin-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-pyridin-3-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-cyclopropyl-N-(4-thiophen-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);4-[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]cyclohexyl]benzamide
SMILESC[C@](O)(c1ccc(C(=O)N(C2CCC(c3ccc(C(N)=O)cc3)CC2)C2CC2)cc1)C(F)(F)F.C[C@](O)(c1ccc(C(=O)N(C2CCC(c3ccccn3)CC2)C2CC2)cc1)C(F)(F)F.C[C@](O)(c1ccc(C(=O)N(C2CCC(c3cccnc3)CC2)C2CC2)cc1)C(F)(F)F.C[C@](O)(c1ccc(C(=O)N(C2CCC(c3cccs3)CC2)C2CC2)cc1)C(F)(F)F.C[C@](O)(c1ccc(C(=O)N(C2CCC(c3cccs3)CC2)C2CC2)cc1)C(F)(F)F
InChIInChI=1S/C26H29F3N2O3.2C24H27F3N2O2.2C23H26F3NO2S/c1-25(34,26(27,28)29)20-10-6-19(7-11-20)24(33)31(22-14-15-22)21-12-8-17(9-13-21)16-2-4-18(5-3-16)23(30)32;1-23(31,24(25,26)27)19-8-4-17(5-9-19)22(30)29(21-12-13-21)20-10-6-16(7-11-20)18-3-2-14-28-15-18;1-23(31,24(25,26)27)18-9-5-17(6-10-18)22(30)29(20-13-14-20)19-11-7-16(8-12-19)21-4-2-3-15-28-21;2*1-22(29,23(24,25)26)17-8-4-16(5-9-17)21(28)27(19-12-13-19)18-10-6-15(7-11-18)20-3-2-14-30-20/h2-7,10-11,17,21-22,34H,8-9,12-15H2,1H3,(H2,30,32);2-5,8-9,14-16,20-21,31H,6-7,10-13H2,1H3;2-6,9-10,15-16,19-20,31H,7-8,11-14H2,1H3;2*2-5,8-9,14-15,18-19,29H,6-7,10-13H2,1H3/t17?,21?,25-;16?,20?,23-;16?,19?,23-;2*15?,18?,22-/m00000/s1
InChIKeyFJRGTJQLMDTJPG-JUIBZCGVSA-N
MW2214.55 g/mol
LogP26.95
Rot. Bonds26

About N-cyclopropyl-N-(4-pyridin-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-pyridin-3-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-cyclopropyl-N-(4-thiophen-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);4-[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]cyclohexyl]benzamide

N-cyclopropyl-N-(4-pyridin-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-pyridin-3-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-cyclopropyl-N-(4-thiophen-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);4-[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]cyclohexyl]benzamide (PubChem CID 158052744) has the molecular formula C120H135F15N8O11S2 and a molecular weight of 2214.55 g/mol. Its IUPAC name is N-cyclopropyl-N-(4-pyridin-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-pyridin-3-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-cyclopropyl-N-(4-thiophen-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);4-[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]cyclohexyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(4-pyridin-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-pyridin-3-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-cyclopropyl-N-(4-thiophen-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);4-[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]cyclohexyl]benzamide
PubChem CID158052744
Molecular FormulaC120H135F15N8O11S2
Molecular Weight2214.55 g/mol
Exact Mass2212.95
IUPAC NameN-cyclopropyl-N-(4-pyridin-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-pyridin-3-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-cyclopropyl-N-(4-thiophen-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);4-[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]cyclohexyl]benzamide
SMILESC[C@](O)(c1ccc(C(=O)N(C2CCC(c3ccc(C(N)=O)cc3)CC2)C2CC2)cc1)C(F)(F)F.C[C@](O)(c1ccc(C(=O)N(C2CCC(c3ccccn3)CC2)C2CC2)cc1)C(F)(F)F.C[C@](O)(c1ccc(C(=O)N(C2CCC(c3cccnc3)CC2)C2CC2)cc1)C(F)(F)F.C[C@](O)(c1ccc(C(=O)N(C2CCC(c3cccs3)CC2)C2CC2)cc1)C(F)(F)F.C[C@](O)(c1ccc(C(=O)N(C2CCC(c3cccs3)CC2)C2CC2)cc1)C(F)(F)F
InChIInChI=1S/C26H29F3N2O3.2C24H27F3N2O2.2C23H26F3NO2S/c1-25(34,26(27,28)29)20-10-6-19(7-11-20)24(33)31(22-14-15-22)21-12-8-17(9-13-21)16-2-4-18(5-3-16)23(30)32;1-23(31,24(25,26)27)19-8-4-17(5-9-19)22(30)29(21-12-13-21)20-10-6-16(7-11-20)18-3-2-14-28-15-18;1-23(31,24(25,26)27)18-9-5-17(6-10-18)22(30)29(20-13-14-20)19-11-7-16(8-12-19)21-4-2-3-15-28-21;2*1-22(29,23(24,25)26)17-8-4-16(5-9-17)21(28)27(19-12-13-19)18-10-6-15(7-11-18)20-3-2-14-30-20/h2-7,10-11,17,21-22,34H,8-9,12-15H2,1H3,(H2,30,32);2-5,8-9,14-16,20-21,31H,6-7,10-13H2,1H3;2-6,9-10,15-16,19-20,31H,7-8,11-14H2,1H3;2*2-5,8-9,14-15,18-19,29H,6-7,10-13H2,1H3/t17?,21?,25-;16?,20?,23-;16?,19?,23-;2*15?,18?,22-/m00000/s1
InChIKeyFJRGTJQLMDTJPG-JUIBZCGVSA-N
XLogP26.95
TPSA271.57 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds26
Heavy Atoms156
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002214.55
LogP ≤ 526.95
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Analyze N-cyclopropyl-N-(4-pyridin-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-pyridin-3-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-cyclopropyl-N-(4-thiophen-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);4-[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]cyclohexyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(4-pyridin-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-pyridin-3-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-cyclopropyl-N-(4-thiophen-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);4-[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]cyclohexyl]benzamide?
The IUPAC name of N-cyclopropyl-N-(4-pyridin-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-pyridin-3-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-cyclopropyl-N-(4-thiophen-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);4-[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]cyclohexyl]benzamide (CID 158052744) is N-cyclopropyl-N-(4-pyridin-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-pyridin-3-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-cyclopropyl-N-(4-thiophen-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);4-[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]cyclohexyl]benzamide.
What is the SMILES notation for N-cyclopropyl-N-(4-pyridin-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-pyridin-3-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-cyclopropyl-N-(4-thiophen-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);4-[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]cyclohexyl]benzamide?
The canonical SMILES for N-cyclopropyl-N-(4-pyridin-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-pyridin-3-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-cyclopropyl-N-(4-thiophen-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);4-[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]cyclohexyl]benzamide is C[C@](O)(c1ccc(C(=O)N(C2CCC(c3ccc(C(N)=O)cc3)CC2)C2CC2)cc1)C(F)(F)F.C[C@](O)(c1ccc(C(=O)N(C2CCC(c3ccccn3)CC2)C2CC2)cc1)C(F)(F)F.C[C@](O)(c1ccc(C(=O)N(C2CCC(c3cccnc3)CC2)C2CC2)cc1)C(F)(F)F.C[C@](O)(c1ccc(C(=O)N(C2CCC(c3cccs3)CC2)C2CC2)cc1)C(F)(F)F.C[C@](O)(c1ccc(C(=O)N(C2CCC(c3cccs3)CC2)C2CC2)cc1)C(F)(F)F.
What is the InChIKey of N-cyclopropyl-N-(4-pyridin-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-pyridin-3-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-cyclopropyl-N-(4-thiophen-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);4-[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]cyclohexyl]benzamide?
The InChIKey is FJRGTJQLMDTJPG-JUIBZCGVSA-N. The full InChI is InChI=1S/C26H29F3N2O3.2C24H27F3N2O2.2C23H26F3NO2S/c1-25(34,26(27,28)29)20-10-6-19(7-11-20)24(33)31(22-14-15-22)21-12-8-17(9-13-21)16-2-4-18(5-3-16)23(30)32;1-23(31,24(25,26)27)19-8-4-17(5-9-19)22(30)29(21-12-13-21)20-10-6-16(7-11-20)18-3-2-14-28-15-18;1-23(31,24(25,26)27)18-9-5-17(6-10-18)22(30)29(20-13-14-20)19-11-7-16(8-12-19)21-4-2-3-15-28-21;2*1-22(29,23(24,25)26)17-8-4-16(5-9-17)21(28)27(19-12-13-19)18-10-6-15(7-11-18)20-3-2-14-30-20/h2-7,10-11,17,21-22,34H,8-9,12-15H2,1H3,(H2,30,32);2-5,8-9,14-16,20-21,31H,6-7,10-13H2,1H3;2-6,9-10,15-16,19-20,31H,7-8,11-14H2,1H3;2*2-5,8-9,14-15,18-19,29H,6-7,10-13H2,1H3/t17?,21?,25-;16?,20?,23-;16?,19?,23-;2*15?,18?,22-/m00000/s1.
What are the key properties of N-cyclopropyl-N-(4-pyridin-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-pyridin-3-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-cyclopropyl-N-(4-thiophen-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);4-[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]cyclohexyl]benzamide?
N-cyclopropyl-N-(4-pyridin-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-pyridin-3-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-cyclopropyl-N-(4-thiophen-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);4-[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]cyclohexyl]benzamide has a molecular weight of 2214.55 g/mol, XLogP of 26.95, 26 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(4-pyridin-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-pyridin-3-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;bis(N-cyclopropyl-N-(4-thiophen-2-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);4-[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]cyclohexyl]benzamide is sourced from PubChem (CID 158052744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).