2-cyclohexyloxy-N-(4-methylcyclohexyl)-4-phenylmethoxybenzamide;1-[5-fluoro-2-(thian-4-yloxy)-3-pyridinyl]ethanone;propane

C42H57FN2O5S — CID 142991985

IUPAC2-cyclohexyloxy-N-(4-methylcyclohexyl)-4-phenylmethoxybenzamide;1-[5-fluoro-2-(thian-4-yloxy)-3-pyridinyl]ethanone;propane
SMILESCC(=O)c1cc(F)cnc1OC1CCSCC1.CC1CCC(NC(=O)c2ccc(OCc3ccccc3)cc2OC2CCCCC2)CC1.CCC
InChIInChI=1S/C27H35NO3.C12H14FNO2S.C3H8/c1-20-12-14-22(15-13-20)28-27(29)25-17-16-24(30-19-21-8-4-2-5-9-21)18-26(25)31-23-10-6-3-7-11-23;1-8(15)11-6-9(13)7-14-12(11)16-10-2-4-17-5-3-10;1-3-2/h2,4-5,8-9,16-18,20,22-23H,3,6-7,10-15,19H2,1H3,(H,28,29);6-7,10H,2-5H2,1H3;3H2,1-2H3
InChIKeyYRPYYVDOLOGXFB-UHFFFAOYSA-N
MW720.99 g/mol
LogP10.40
Rot. Bonds10

About 2-cyclohexyloxy-N-(4-methylcyclohexyl)-4-phenylmethoxybenzamide;1-[5-fluoro-2-(thian-4-yloxy)-3-pyridinyl]ethanone;propane

2-cyclohexyloxy-N-(4-methylcyclohexyl)-4-phenylmethoxybenzamide;1-[5-fluoro-2-(thian-4-yloxy)-3-pyridinyl]ethanone;propane (PubChem CID 142991985) has the molecular formula C42H57FN2O5S and a molecular weight of 720.99 g/mol. Its IUPAC name is 2-cyclohexyloxy-N-(4-methylcyclohexyl)-4-phenylmethoxybenzamide;1-[5-fluoro-2-(thian-4-yloxy)-3-pyridinyl]ethanone;propane.

Molecular Properties

Compound Name2-cyclohexyloxy-N-(4-methylcyclohexyl)-4-phenylmethoxybenzamide;1-[5-fluoro-2-(thian-4-yloxy)-3-pyridinyl]ethanone;propane
PubChem CID142991985
Molecular FormulaC42H57FN2O5S
Molecular Weight720.99 g/mol
Exact Mass720.40
IUPAC Name2-cyclohexyloxy-N-(4-methylcyclohexyl)-4-phenylmethoxybenzamide;1-[5-fluoro-2-(thian-4-yloxy)-3-pyridinyl]ethanone;propane
SMILESCC(=O)c1cc(F)cnc1OC1CCSCC1.CC1CCC(NC(=O)c2ccc(OCc3ccccc3)cc2OC2CCCCC2)CC1.CCC
InChIInChI=1S/C27H35NO3.C12H14FNO2S.C3H8/c1-20-12-14-22(15-13-20)28-27(29)25-17-16-24(30-19-21-8-4-2-5-9-21)18-26(25)31-23-10-6-3-7-11-23;1-8(15)11-6-9(13)7-14-12(11)16-10-2-4-17-5-3-10;1-3-2/h2,4-5,8-9,16-18,20,22-23H,3,6-7,10-15,19H2,1H3,(H,28,29);6-7,10H,2-5H2,1H3;3H2,1-2H3
InChIKeyYRPYYVDOLOGXFB-UHFFFAOYSA-N
XLogP10.40
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.99
LogP ≤ 510.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-cyclohexyloxy-N-(4-methylcyclohexyl)-4-phenylmethoxybenzamide;1-[5-fluoro-2-(thian-4-yloxy)-3-pyridinyl]ethanone;propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxy-N-(4-methylcyclohexyl)-4-phenylmethoxybenzamide;1-[5-fluoro-2-(thian-4-yloxy)-3-pyridinyl]ethanone;propane?
The IUPAC name of 2-cyclohexyloxy-N-(4-methylcyclohexyl)-4-phenylmethoxybenzamide;1-[5-fluoro-2-(thian-4-yloxy)-3-pyridinyl]ethanone;propane (CID 142991985) is 2-cyclohexyloxy-N-(4-methylcyclohexyl)-4-phenylmethoxybenzamide;1-[5-fluoro-2-(thian-4-yloxy)-3-pyridinyl]ethanone;propane.
What is the SMILES notation for 2-cyclohexyloxy-N-(4-methylcyclohexyl)-4-phenylmethoxybenzamide;1-[5-fluoro-2-(thian-4-yloxy)-3-pyridinyl]ethanone;propane?
The canonical SMILES for 2-cyclohexyloxy-N-(4-methylcyclohexyl)-4-phenylmethoxybenzamide;1-[5-fluoro-2-(thian-4-yloxy)-3-pyridinyl]ethanone;propane is CC(=O)c1cc(F)cnc1OC1CCSCC1.CC1CCC(NC(=O)c2ccc(OCc3ccccc3)cc2OC2CCCCC2)CC1.CCC.
What is the InChIKey of 2-cyclohexyloxy-N-(4-methylcyclohexyl)-4-phenylmethoxybenzamide;1-[5-fluoro-2-(thian-4-yloxy)-3-pyridinyl]ethanone;propane?
The InChIKey is YRPYYVDOLOGXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35NO3.C12H14FNO2S.C3H8/c1-20-12-14-22(15-13-20)28-27(29)25-17-16-24(30-19-21-8-4-2-5-9-21)18-26(25)31-23-10-6-3-7-11-23;1-8(15)11-6-9(13)7-14-12(11)16-10-2-4-17-5-3-10;1-3-2/h2,4-5,8-9,16-18,20,22-23H,3,6-7,10-15,19H2,1H3,(H,28,29);6-7,10H,2-5H2,1H3;3H2,1-2H3.
What are the key properties of 2-cyclohexyloxy-N-(4-methylcyclohexyl)-4-phenylmethoxybenzamide;1-[5-fluoro-2-(thian-4-yloxy)-3-pyridinyl]ethanone;propane?
2-cyclohexyloxy-N-(4-methylcyclohexyl)-4-phenylmethoxybenzamide;1-[5-fluoro-2-(thian-4-yloxy)-3-pyridinyl]ethanone;propane has a molecular weight of 720.99 g/mol, XLogP of 10.40, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxy-N-(4-methylcyclohexyl)-4-phenylmethoxybenzamide;1-[5-fluoro-2-(thian-4-yloxy)-3-pyridinyl]ethanone;propane is sourced from PubChem (CID 142991985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).