N-[3-(2-cyclopropyl-1,3-thiazol-5-yl)phenyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexanecarboxamide;N-methylethenamine;molecular hydrogen

C37H51N3O2S — CID 142431005

IUPACN-[3-(2-cyclopropyl-1,3-thiazol-5-yl)phenyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexanecarboxamide;N-methylethenamine;molecular hydrogen
SMILESC=CNC.COc1ccc(C2CCC(CN(C(=O)C3CCCCC3)c3cccc(-c4cnc(C5CC5)s4)c3)CC2)cc1C.[H][H]
InChIInChI=1S/C34H42N2O2S.C3H7N.H2/c1-23-19-28(17-18-31(23)38-2)25-13-11-24(12-14-25)22-36(34(37)27-7-4-3-5-8-27)30-10-6-9-29(20-30)32-21-35-33(39-32)26-15-16-26;1-3-4-2;/h6,9-10,17-21,24-27H,3-5,7-8,11-16,22H2,1-2H3;3-4H,1H2,2H3;1H
InChIKeyUUFFXMBOOZKQCY-UHFFFAOYSA-N
MW601.90 g/mol
LogP9.49
Rot. Bonds9

About N-[3-(2-cyclopropyl-1,3-thiazol-5-yl)phenyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexanecarboxamide;N-methylethenamine;molecular hydrogen

N-[3-(2-cyclopropyl-1,3-thiazol-5-yl)phenyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexanecarboxamide;N-methylethenamine;molecular hydrogen (PubChem CID 142431005) has the molecular formula C37H51N3O2S and a molecular weight of 601.90 g/mol. Its IUPAC name is N-[3-(2-cyclopropyl-1,3-thiazol-5-yl)phenyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexanecarboxamide;N-methylethenamine;molecular hydrogen.

Molecular Properties

Compound NameN-[3-(2-cyclopropyl-1,3-thiazol-5-yl)phenyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexanecarboxamide;N-methylethenamine;molecular hydrogen
PubChem CID142431005
Molecular FormulaC37H51N3O2S
Molecular Weight601.90 g/mol
Exact Mass601.37
IUPAC NameN-[3-(2-cyclopropyl-1,3-thiazol-5-yl)phenyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexanecarboxamide;N-methylethenamine;molecular hydrogen
SMILESC=CNC.COc1ccc(C2CCC(CN(C(=O)C3CCCCC3)c3cccc(-c4cnc(C5CC5)s4)c3)CC2)cc1C.[H][H]
InChIInChI=1S/C34H42N2O2S.C3H7N.H2/c1-23-19-28(17-18-31(23)38-2)25-13-11-24(12-14-25)22-36(34(37)27-7-4-3-5-8-27)30-10-6-9-29(20-30)32-21-35-33(39-32)26-15-16-26;1-3-4-2;/h6,9-10,17-21,24-27H,3-5,7-8,11-16,22H2,1-2H3;3-4H,1H2,2H3;1H
InChIKeyUUFFXMBOOZKQCY-UHFFFAOYSA-N
XLogP9.49
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.90
LogP ≤ 59.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-(2-cyclopropyl-1,3-thiazol-5-yl)phenyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexanecarboxamide;N-methylethenamine;molecular hydrogen with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-cyclopropyl-1,3-thiazol-5-yl)phenyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexanecarboxamide;N-methylethenamine;molecular hydrogen?
The IUPAC name of 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) is N-[3-(2-cyclopropyl-1,3-thiazol-5-yl)phenyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexanecarboxamide;N-methylethenamine;molecular hydrogen.
What is the SMILES notation for N-[3-(2-cyclopropyl-1,3-thiazol-5-yl)phenyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexanecarboxamide;N-methylethenamine;molecular hydrogen?
The canonical SMILES for N-[3-(2-cyclopropyl-1,3-thiazol-5-yl)phenyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexanecarboxamide;N-methylethenamine;molecular hydrogen is C=CNC.COc1ccc(C2CCC(CN(C(=O)C3CCCCC3)c3cccc(-c4cnc(C5CC5)s4)c3)CC2)cc1C.[H][H].
What is the InChIKey of N-[3-(2-cyclopropyl-1,3-thiazol-5-yl)phenyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexanecarboxamide;N-methylethenamine;molecular hydrogen?
The InChIKey is UUFFXMBOOZKQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42N2O2S.C3H7N.H2/c1-23-19-28(17-18-31(23)38-2)25-13-11-24(12-14-25)22-36(34(37)27-7-4-3-5-8-27)30-10-6-9-29(20-30)32-21-35-33(39-32)26-15-16-26;1-3-4-2;/h6,9-10,17-21,24-27H,3-5,7-8,11-16,22H2,1-2H3;3-4H,1H2,2H3;1H.
What are the key properties of N-[3-(2-cyclopropyl-1,3-thiazol-5-yl)phenyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexanecarboxamide;N-methylethenamine;molecular hydrogen?
N-[3-(2-cyclopropyl-1,3-thiazol-5-yl)phenyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexanecarboxamide;N-methylethenamine;molecular hydrogen has a molecular weight of 601.90 g/mol, XLogP of 9.49, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-cyclopropyl-1,3-thiazol-5-yl)phenyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexanecarboxamide;N-methylethenamine;molecular hydrogen is sourced from PubChem (CID 142431005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).