N-cyclohexyl-4-[[4-methyl-5-(4-methylphenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]methyl]benzamide

C25H28N2O4S — CID 50790928

IUPACN-cyclohexyl-4-[[4-methyl-5-(4-methylphenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]methyl]benzamide
SMILESCC1=C(c2ccc(C)cc2)S(=O)(=O)N(Cc2ccc(C(=O)NC3CCCCC3)cc2)C1=O
InChIInChI=1S/C25H28N2O4S/c1-17-8-12-20(13-9-17)23-18(2)25(29)27(32(23,30)31)16-19-10-14-21(15-11-19)24(28)26-22-6-4-3-5-7-22/h8-15,22H,3-7,16H2,1-2H3,(H,26,28)
InChIKeyRCASUBYIOQCIOF-UHFFFAOYSA-N
MW452.58 g/mol
LogP4.16
Rot. Bonds5

About N-cyclohexyl-4-[[4-methyl-5-(4-methylphenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]methyl]benzamide

N-cyclohexyl-4-[[4-methyl-5-(4-methylphenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]methyl]benzamide (PubChem CID 50790928) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is N-cyclohexyl-4-[[4-methyl-5-(4-methylphenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[[4-methyl-5-(4-methylphenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]methyl]benzamide
PubChem CID50790928
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC NameN-cyclohexyl-4-[[4-methyl-5-(4-methylphenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]methyl]benzamide
SMILESCC1=C(c2ccc(C)cc2)S(=O)(=O)N(Cc2ccc(C(=O)NC3CCCCC3)cc2)C1=O
InChIInChI=1S/C25H28N2O4S/c1-17-8-12-20(13-9-17)23-18(2)25(29)27(32(23,30)31)16-19-10-14-21(15-11-19)24(28)26-22-6-4-3-5-7-22/h8-15,22H,3-7,16H2,1-2H3,(H,26,28)
InChIKeyRCASUBYIOQCIOF-UHFFFAOYSA-N
XLogP4.16
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[[4-methyl-5-(4-methylphenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]methyl]benzamide?
The IUPAC name of N-cyclohexyl-4-[[4-methyl-5-(4-methylphenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]methyl]benzamide (CID 50790928) is N-cyclohexyl-4-[[4-methyl-5-(4-methylphenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]methyl]benzamide.
What is the SMILES notation for N-cyclohexyl-4-[[4-methyl-5-(4-methylphenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]methyl]benzamide?
The canonical SMILES for N-cyclohexyl-4-[[4-methyl-5-(4-methylphenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]methyl]benzamide is CC1=C(c2ccc(C)cc2)S(=O)(=O)N(Cc2ccc(C(=O)NC3CCCCC3)cc2)C1=O.
What is the InChIKey of N-cyclohexyl-4-[[4-methyl-5-(4-methylphenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]methyl]benzamide?
The InChIKey is RCASUBYIOQCIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S/c1-17-8-12-20(13-9-17)23-18(2)25(29)27(32(23,30)31)16-19-10-14-21(15-11-19)24(28)26-22-6-4-3-5-7-22/h8-15,22H,3-7,16H2,1-2H3,(H,26,28).
What are the key properties of N-cyclohexyl-4-[[4-methyl-5-(4-methylphenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]methyl]benzamide?
N-cyclohexyl-4-[[4-methyl-5-(4-methylphenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]methyl]benzamide has a molecular weight of 452.58 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[[4-methyl-5-(4-methylphenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]methyl]benzamide is sourced from PubChem (CID 50790928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).