N-[[3-(2-cyclopropyl-1,3-thiazol-5-yl)phenyl]-[3-[[2-(1H-imidazol-2-yl)acetyl]amino]-4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexanecarboxamide

C39H47N5O3S — CID 164710966

IUPACN-[[3-(2-cyclopropyl-1,3-thiazol-5-yl)phenyl]-[3-[[2-(1H-imidazol-2-yl)acetyl]amino]-4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexanecarboxamide
SMILESCOc1ccc(C2CCC(C(NC(=O)C3CCCCC3)c3cccc(-c4cnc(C5CC5)s4)c3)CC2NC(=O)Cc2ncc[nH]2)cc1C
InChIInChI=1S/C39H47N5O3S/c1-24-19-27(14-16-33(24)47-2)31-15-13-30(21-32(31)43-36(45)22-35-40-17-18-41-35)37(44-38(46)25-7-4-3-5-8-25)29-10-6-9-28(20-29)34-23-42-39(48-34)26-11-12-26/h6,9-10,14,16-20,23,25-26,30-32,37H,3-5,7-8,11-13,15,21-22H2,1-2H3,(H,40,41)(H,43,45)(H,44,46)
InChIKeyVYEAKKACUKSWAU-UHFFFAOYSA-N
MW665.90 g/mol
LogP7.78
Rot. Bonds11

About N-[[3-(2-cyclopropyl-1,3-thiazol-5-yl)phenyl]-[3-[[2-(1H-imidazol-2-yl)acetyl]amino]-4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexanecarboxamide

N-[[3-(2-cyclopropyl-1,3-thiazol-5-yl)phenyl]-[3-[[2-(1H-imidazol-2-yl)acetyl]amino]-4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexanecarboxamide (PubChem CID 164710966) has the molecular formula C39H47N5O3S and a molecular weight of 665.90 g/mol. Its IUPAC name is N-[[3-(2-cyclopropyl-1,3-thiazol-5-yl)phenyl]-[3-[[2-(1H-imidazol-2-yl)acetyl]amino]-4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[[3-(2-cyclopropyl-1,3-thiazol-5-yl)phenyl]-[3-[[2-(1H-imidazol-2-yl)acetyl]amino]-4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexanecarboxamide
PubChem CID164710966
Molecular FormulaC39H47N5O3S
Molecular Weight665.90 g/mol
Exact Mass665.34
IUPAC NameN-[[3-(2-cyclopropyl-1,3-thiazol-5-yl)phenyl]-[3-[[2-(1H-imidazol-2-yl)acetyl]amino]-4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexanecarboxamide
SMILESCOc1ccc(C2CCC(C(NC(=O)C3CCCCC3)c3cccc(-c4cnc(C5CC5)s4)c3)CC2NC(=O)Cc2ncc[nH]2)cc1C
InChIInChI=1S/C39H47N5O3S/c1-24-19-27(14-16-33(24)47-2)31-15-13-30(21-32(31)43-36(45)22-35-40-17-18-41-35)37(44-38(46)25-7-4-3-5-8-25)29-10-6-9-28(20-29)34-23-42-39(48-34)26-11-12-26/h6,9-10,14,16-20,23,25-26,30-32,37H,3-5,7-8,11-13,15,21-22H2,1-2H3,(H,40,41)(H,43,45)(H,44,46)
InChIKeyVYEAKKACUKSWAU-UHFFFAOYSA-N
XLogP7.78
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.90
LogP ≤ 57.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[[3-(2-cyclopropyl-1,3-thiazol-5-yl)phenyl]-[3-[[2-(1H-imidazol-2-yl)acetyl]amino]-4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexanecarboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[[3-[2-(2-hydroxyethoxy)-1,3-thiazol-5-yl]phenyl]-[3-hydroxy-4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexanecarboxamide
CID 153485801
N-[[3-[2-(difluoromethoxy)-1,3-thiazol-5-yl]phenyl]-[3-hydroxy-4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexanecarboxamide
CID 153485807
N-[[3-[1-(2-hydroxyethyl)pyrazol-4-yl]phenyl]-[3-hydroxy-4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexanecarboxamide
CID 153485825
N-[[3-(3-cyclopropyl-1,2-thiazol-5-yl)phenyl]-[3-hydroxy-4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]cyclohexanecarboxamide
CID 153485862
N-[[3-hydroxy-4-(4-methoxy-3-methylphenyl)cyclohexyl]-[3-[2-(1,3,4-thiadiazol-2-yl)ethynyl]phenyl]methyl]cyclohexanecarboxamide
CID 153485874
4-(cyanomethyl)-N-[3-(2-cyclopropyl-1,3-thiazol-5-yl)phenyl]-N-methylcyclohexane-1-carboxamide;4-cyclohexyl-1-methoxy-2-methylbenzene;ethane
CID 142431180
N-[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexanecarboxamide
CID 142430409
N-[3-(2-cyclopropyl-1,3-thiazol-5-yl)phenyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexanecarboxamide;N-methylethenamine;molecular hydrogen
CID 142431005
4-cyclohexyl-1-methoxy-2-methylbenzene;N-[3-(2-cyclopropyl-1,3-thiazol-5-yl)phenyl]-N-methylcyclohexanecarboxamide;N-methyl-3-methylsulfinylpropanamide;molecular hydrogen
CID 142430926
propan-2-yl N-[4-[[[4-(4-methoxy-3-methylphenyl)cyclohexyl]-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]methyl]carbamoyl]cyclohexyl]carbamate
CID 162781250
[2-[4-[[3-(2-cyclopropyl-1,3-thiazol-5-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl]-2-hydroxyethyl] carbamate
CID 164710963
4-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-2-[3-(2-methoxy-1,3-thiazol-5-yl)phenyl]-1-N-methylcyclohexane-1,4-dicarboxamide
CID 175700375

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-cyclopropyl-1,3-thiazol-5-yl)phenyl]-[3-[[2-(1H-imidazol-2-yl)acetyl]amino]-4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexanecarboxamide?
The IUPAC name of N-[[3-(2-cyclopropyl-1,3-thiazol-5-yl)phenyl]-[3-[[2-(1H-imidazol-2-yl)acetyl]amino]-4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexanecarboxamide (CID 164710966) is N-[[3-(2-cyclopropyl-1,3-thiazol-5-yl)phenyl]-[3-[[2-(1H-imidazol-2-yl)acetyl]amino]-4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[[3-(2-cyclopropyl-1,3-thiazol-5-yl)phenyl]-[3-[[2-(1H-imidazol-2-yl)acetyl]amino]-4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[[3-(2-cyclopropyl-1,3-thiazol-5-yl)phenyl]-[3-[[2-(1H-imidazol-2-yl)acetyl]amino]-4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexanecarboxamide is COc1ccc(C2CCC(C(NC(=O)C3CCCCC3)c3cccc(-c4cnc(C5CC5)s4)c3)CC2NC(=O)Cc2ncc[nH]2)cc1C.
What is the InChIKey of N-[[3-(2-cyclopropyl-1,3-thiazol-5-yl)phenyl]-[3-[[2-(1H-imidazol-2-yl)acetyl]amino]-4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexanecarboxamide?
The InChIKey is VYEAKKACUKSWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H47N5O3S/c1-24-19-27(14-16-33(24)47-2)31-15-13-30(21-32(31)43-36(45)22-35-40-17-18-41-35)37(44-38(46)25-7-4-3-5-8-25)29-10-6-9-28(20-29)34-23-42-39(48-34)26-11-12-26/h6,9-10,14,16-20,23,25-26,30-32,37H,3-5,7-8,11-13,15,21-22H2,1-2H3,(H,40,41)(H,43,45)(H,44,46).
What are the key properties of N-[[3-(2-cyclopropyl-1,3-thiazol-5-yl)phenyl]-[3-[[2-(1H-imidazol-2-yl)acetyl]amino]-4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexanecarboxamide?
N-[[3-(2-cyclopropyl-1,3-thiazol-5-yl)phenyl]-[3-[[2-(1H-imidazol-2-yl)acetyl]amino]-4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexanecarboxamide has a molecular weight of 665.90 g/mol, XLogP of 7.78, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-cyclopropyl-1,3-thiazol-5-yl)phenyl]-[3-[[2-(1H-imidazol-2-yl)acetyl]amino]-4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexanecarboxamide is sourced from PubChem (CID 164710966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).