N-(3-cyclohexyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-ethylbenzenesulfonamide

C18H24N2O3S2 — CID 4520715

IUPACN-(3-cyclohexyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)N=C2SC(C)C(=O)N2C2CCCCC2)cc1
InChIInChI=1S/C18H24N2O3S2/c1-3-14-9-11-16(12-10-14)25(22,23)19-18-20(17(21)13(2)24-18)15-7-5-4-6-8-15/h9-13,15H,3-8H2,1-2H3
InChIKeyPVYPAXOHQROAFD-UHFFFAOYSA-N
MW380.54 g/mol
LogP3.59
Rot. Bonds4

About N-(3-cyclohexyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-ethylbenzenesulfonamide

N-(3-cyclohexyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-ethylbenzenesulfonamide (PubChem CID 4520715) has the molecular formula C18H24N2O3S2 and a molecular weight of 380.54 g/mol. Its IUPAC name is N-(3-cyclohexyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-ethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-cyclohexyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-ethylbenzenesulfonamide
PubChem CID4520715
Molecular FormulaC18H24N2O3S2
Molecular Weight380.54 g/mol
Exact Mass380.12
IUPAC NameN-(3-cyclohexyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)N=C2SC(C)C(=O)N2C2CCCCC2)cc1
InChIInChI=1S/C18H24N2O3S2/c1-3-14-9-11-16(12-10-14)25(22,23)19-18-20(17(21)13(2)24-18)15-7-5-4-6-8-15/h9-13,15H,3-8H2,1-2H3
InChIKeyPVYPAXOHQROAFD-UHFFFAOYSA-N
XLogP3.59
TPSA66.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[(5R)-3-cyclohexyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide
CID 51575167
N-[(5S)-3-ethyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 7343736
N-(3-cyclohexyl-4-phenyl-1,3-thiazol-2-ylidene)-4-ethylbenzenesulfonamide
CID 3459366
N-[(5R)-3-cyclohexyl-5-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide
CID 2443118
(NE)-N-(3-cyclohexyl-5,5-dimethyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-fluorobenzenesulfonamide
CID 18811391
2-[(5R)-3-cyclohexyl-2-(4-methylphenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide
CID 51858935
N-(4-chlorophenyl)-2-[(5R)-3-cyclohexyl-2-(4-methylphenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 51670297
2-[(5S)-3-cyclohexyl-2-(4-fluorophenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 51663556
(NE)-4-bromo-N-(5-methyl-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)benzenesulfonamide
CID 6246576
2-[(5S)-3-cyclohexyl-2-(4-methylphenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide
CID 51665664
2-[(5S)-3-cyclohexyl-2-(4-fluorophenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide
CID 51858939
3-cyclohexyl-2-cyclohexylimino-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 4017105

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-ethylbenzenesulfonamide?
The IUPAC name of N-(3-cyclohexyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-ethylbenzenesulfonamide (CID 4520715) is N-(3-cyclohexyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-ethylbenzenesulfonamide.
What is the SMILES notation for N-(3-cyclohexyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-ethylbenzenesulfonamide?
The canonical SMILES for N-(3-cyclohexyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-ethylbenzenesulfonamide is CCc1ccc(S(=O)(=O)N=C2SC(C)C(=O)N2C2CCCCC2)cc1.
What is the InChIKey of N-(3-cyclohexyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-ethylbenzenesulfonamide?
The InChIKey is PVYPAXOHQROAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S2/c1-3-14-9-11-16(12-10-14)25(22,23)19-18-20(17(21)13(2)24-18)15-7-5-4-6-8-15/h9-13,15H,3-8H2,1-2H3.
What are the key properties of N-(3-cyclohexyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-ethylbenzenesulfonamide?
N-(3-cyclohexyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-ethylbenzenesulfonamide has a molecular weight of 380.54 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-ethylbenzenesulfonamide is sourced from PubChem (CID 4520715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).