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

C20H26N2O4S — CID 53000220

IUPACN-cyclohexyl-2-[5-(4-ethylphenyl)-4-methyl-1,1,3-trioxo-1,2-thiazol-2-yl]acetamide
SMILESCCc1ccc(C2=C(C)C(=O)N(CC(=O)NC3CCCCC3)S2(=O)=O)cc1
InChIInChI=1S/C20H26N2O4S/c1-3-15-9-11-16(12-10-15)19-14(2)20(24)22(27(19,25)26)13-18(23)21-17-7-5-4-6-8-17/h9-12,17H,3-8,13H2,1-2H3,(H,21,23)
InChIKeyYKVBJIAHQZFAHG-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.60
Rot. Bonds5

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

N-cyclohexyl-2-[5-(4-ethylphenyl)-4-methyl-1,1,3-trioxo-1,2-thiazol-2-yl]acetamide (PubChem CID 53000220) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-cyclohexyl-2-[5-(4-ethylphenyl)-4-methyl-1,1,3-trioxo-1,2-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[5-(4-ethylphenyl)-4-methyl-1,1,3-trioxo-1,2-thiazol-2-yl]acetamide
PubChem CID53000220
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC NameN-cyclohexyl-2-[5-(4-ethylphenyl)-4-methyl-1,1,3-trioxo-1,2-thiazol-2-yl]acetamide
SMILESCCc1ccc(C2=C(C)C(=O)N(CC(=O)NC3CCCCC3)S2(=O)=O)cc1
InChIInChI=1S/C20H26N2O4S/c1-3-15-9-11-16(12-10-15)19-14(2)20(24)22(27(19,25)26)13-18(23)21-17-7-5-4-6-8-17/h9-12,17H,3-8,13H2,1-2H3,(H,21,23)
InChIKeyYKVBJIAHQZFAHG-UHFFFAOYSA-N
XLogP2.60
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[5-(4-ethylphenyl)-4-methyl-1,1,3-trioxo-1,2-thiazol-2-yl]acetamide?
The IUPAC name of N-cyclohexyl-2-[5-(4-ethylphenyl)-4-methyl-1,1,3-trioxo-1,2-thiazol-2-yl]acetamide (CID 53000220) is N-cyclohexyl-2-[5-(4-ethylphenyl)-4-methyl-1,1,3-trioxo-1,2-thiazol-2-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[5-(4-ethylphenyl)-4-methyl-1,1,3-trioxo-1,2-thiazol-2-yl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[5-(4-ethylphenyl)-4-methyl-1,1,3-trioxo-1,2-thiazol-2-yl]acetamide is CCc1ccc(C2=C(C)C(=O)N(CC(=O)NC3CCCCC3)S2(=O)=O)cc1.
What is the InChIKey of N-cyclohexyl-2-[5-(4-ethylphenyl)-4-methyl-1,1,3-trioxo-1,2-thiazol-2-yl]acetamide?
The InChIKey is YKVBJIAHQZFAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-3-15-9-11-16(12-10-15)19-14(2)20(24)22(27(19,25)26)13-18(23)21-17-7-5-4-6-8-17/h9-12,17H,3-8,13H2,1-2H3,(H,21,23).
What are the key properties of N-cyclohexyl-2-[5-(4-ethylphenyl)-4-methyl-1,1,3-trioxo-1,2-thiazol-2-yl]acetamide?
N-cyclohexyl-2-[5-(4-ethylphenyl)-4-methyl-1,1,3-trioxo-1,2-thiazol-2-yl]acetamide has a molecular weight of 390.51 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[5-(4-ethylphenyl)-4-methyl-1,1,3-trioxo-1,2-thiazol-2-yl]acetamide is sourced from PubChem (CID 53000220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).