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

C119H135F15N8O11S2 — CID 158834954

IUPACbis(N-cyclopropyl-N-(4-pyridin-2-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-[ethyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]cyclohexyl]benzamide
SMILESCCN(C(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1)C1CCC(c2ccc(C(N)=O)cc2)CC1.C[C@](O)(c1ccc(C(=O)N(C2CCC(c3ccccn3)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(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/C25H29F3N2O3.2C24H27F3N2O2.2C23H26F3NO2S/c1-3-30(23(32)19-8-12-20(13-9-19)24(2,33)25(26,27)28)21-14-10-17(11-15-21)16-4-6-18(7-5-16)22(29)31;2*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/h4-9,12-13,17,21,33H,3,10-11,14-15H2,1-2H3,(H2,29,31);2*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?,24-;2*16?,19?,23-;2*15?,18?,22-/m00000/s1
InChIKeyIXNBOSQMXVBHOM-AVVJHMIWSA-N
MW2202.54 g/mol
LogP26.81
Rot. Bonds26

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

bis(N-cyclopropyl-N-(4-pyridin-2-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-[ethyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]cyclohexyl]benzamide (PubChem CID 158834954) has the molecular formula C119H135F15N8O11S2 and a molecular weight of 2202.54 g/mol. Its IUPAC name is bis(N-cyclopropyl-N-(4-pyridin-2-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-[ethyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]cyclohexyl]benzamide.

Molecular Properties

Compound Namebis(N-cyclopropyl-N-(4-pyridin-2-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-[ethyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]cyclohexyl]benzamide
PubChem CID158834954
Molecular FormulaC119H135F15N8O11S2
Molecular Weight2202.54 g/mol
Exact Mass2200.95
IUPAC Namebis(N-cyclopropyl-N-(4-pyridin-2-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-[ethyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]cyclohexyl]benzamide
SMILESCCN(C(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1)C1CCC(c2ccc(C(N)=O)cc2)CC1.C[C@](O)(c1ccc(C(=O)N(C2CCC(c3ccccn3)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(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/C25H29F3N2O3.2C24H27F3N2O2.2C23H26F3NO2S/c1-3-30(23(32)19-8-12-20(13-9-19)24(2,33)25(26,27)28)21-14-10-17(11-15-21)16-4-6-18(7-5-16)22(29)31;2*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/h4-9,12-13,17,21,33H,3,10-11,14-15H2,1-2H3,(H2,29,31);2*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?,24-;2*16?,19?,23-;2*15?,18?,22-/m00000/s1
InChIKeyIXNBOSQMXVBHOM-AVVJHMIWSA-N
XLogP26.81
TPSA271.57 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds26
Heavy Atoms155
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002202.54
LogP ≤ 526.81
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Analyze bis(N-cyclopropyl-N-(4-pyridin-2-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-[ethyl-[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 bis(N-cyclopropyl-N-(4-pyridin-2-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-[ethyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]cyclohexyl]benzamide?
The IUPAC name of bis(N-cyclopropyl-N-(4-pyridin-2-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-[ethyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]cyclohexyl]benzamide (CID 158834954) is bis(N-cyclopropyl-N-(4-pyridin-2-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-[ethyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]cyclohexyl]benzamide.
What is the SMILES notation for bis(N-cyclopropyl-N-(4-pyridin-2-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-[ethyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]cyclohexyl]benzamide?
The canonical SMILES for bis(N-cyclopropyl-N-(4-pyridin-2-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-[ethyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]cyclohexyl]benzamide is CCN(C(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1)C1CCC(c2ccc(C(N)=O)cc2)CC1.C[C@](O)(c1ccc(C(=O)N(C2CCC(c3ccccn3)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(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 bis(N-cyclopropyl-N-(4-pyridin-2-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-[ethyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]cyclohexyl]benzamide?
The InChIKey is IXNBOSQMXVBHOM-AVVJHMIWSA-N. The full InChI is InChI=1S/C25H29F3N2O3.2C24H27F3N2O2.2C23H26F3NO2S/c1-3-30(23(32)19-8-12-20(13-9-19)24(2,33)25(26,27)28)21-14-10-17(11-15-21)16-4-6-18(7-5-16)22(29)31;2*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/h4-9,12-13,17,21,33H,3,10-11,14-15H2,1-2H3,(H2,29,31);2*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?,24-;2*16?,19?,23-;2*15?,18?,22-/m00000/s1.
What are the key properties of bis(N-cyclopropyl-N-(4-pyridin-2-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-[ethyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]cyclohexyl]benzamide?
bis(N-cyclopropyl-N-(4-pyridin-2-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-[ethyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]cyclohexyl]benzamide has a molecular weight of 2202.54 g/mol, XLogP of 26.81, 26 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-cyclopropyl-N-(4-pyridin-2-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-[ethyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]cyclohexyl]benzamide is sourced from PubChem (CID 158834954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).