N-cyclohexyl-4-methoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide

C24H26N2O2S — CID 56668928

IUPACN-cyclohexyl-4-methoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)N(Cc2csc(-c3ccccc3)n2)C2CCCCC2)cc1
InChIInChI=1S/C24H26N2O2S/c1-28-22-14-12-19(13-15-22)24(27)26(21-10-6-3-7-11-21)16-20-17-29-23(25-20)18-8-4-2-5-9-18/h2,4-5,8-9,12-15,17,21H,3,6-7,10-11,16H2,1H3
InChIKeyAKCJUUTZUDUMRE-UHFFFAOYSA-N
MW406.55 g/mol
LogP5.79
Rot. Bonds6

About N-cyclohexyl-4-methoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide

N-cyclohexyl-4-methoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide (PubChem CID 56668928) has the molecular formula C24H26N2O2S and a molecular weight of 406.55 g/mol. Its IUPAC name is N-cyclohexyl-4-methoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-methoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide
PubChem CID56668928
Molecular FormulaC24H26N2O2S
Molecular Weight406.55 g/mol
Exact Mass406.17
IUPAC NameN-cyclohexyl-4-methoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)N(Cc2csc(-c3ccccc3)n2)C2CCCCC2)cc1
InChIInChI=1S/C24H26N2O2S/c1-28-22-14-12-19(13-15-22)24(27)26(21-10-6-3-7-11-21)16-20-17-29-23(25-20)18-8-4-2-5-9-18/h2,4-5,8-9,12-15,17,21H,3,6-7,10-11,16H2,1H3
InChIKeyAKCJUUTZUDUMRE-UHFFFAOYSA-N
XLogP5.79
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.55
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-methoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide?
The IUPAC name of N-cyclohexyl-4-methoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide (CID 56668928) is N-cyclohexyl-4-methoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide.
What is the SMILES notation for N-cyclohexyl-4-methoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide?
The canonical SMILES for N-cyclohexyl-4-methoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide is COc1ccc(C(=O)N(Cc2csc(-c3ccccc3)n2)C2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-4-methoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide?
The InChIKey is AKCJUUTZUDUMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2S/c1-28-22-14-12-19(13-15-22)24(27)26(21-10-6-3-7-11-21)16-20-17-29-23(25-20)18-8-4-2-5-9-18/h2,4-5,8-9,12-15,17,21H,3,6-7,10-11,16H2,1H3.
What are the key properties of N-cyclohexyl-4-methoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide?
N-cyclohexyl-4-methoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide has a molecular weight of 406.55 g/mol, XLogP of 5.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-methoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide is sourced from PubChem (CID 56668928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).