N-(5-ethyl-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)pentane-1-sulfonamide

C16H22N2O3S2 — CID 71951884

IUPACN-(5-ethyl-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)pentane-1-sulfonamide
SMILESCCCCCS(=O)(=O)N=C1SC(CC)C(=O)N1c1ccccc1
InChIInChI=1S/C16H22N2O3S2/c1-3-5-9-12-23(20,21)17-16-18(13-10-7-6-8-11-13)15(19)14(4-2)22-16/h6-8,10-11,14H,3-5,9,12H2,1-2H3
InChIKeyKDYGDMKKJIRQGK-UHFFFAOYSA-N
MW354.50 g/mol
LogP3.42
Rot. Bonds7

About N-(5-ethyl-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)pentane-1-sulfonamide

N-(5-ethyl-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)pentane-1-sulfonamide (PubChem CID 71951884) has the molecular formula C16H22N2O3S2 and a molecular weight of 354.50 g/mol. Its IUPAC name is N-(5-ethyl-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)pentane-1-sulfonamide.

Molecular Properties

Compound NameN-(5-ethyl-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)pentane-1-sulfonamide
PubChem CID71951884
Molecular FormulaC16H22N2O3S2
Molecular Weight354.50 g/mol
Exact Mass354.11
IUPAC NameN-(5-ethyl-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)pentane-1-sulfonamide
SMILESCCCCCS(=O)(=O)N=C1SC(CC)C(=O)N1c1ccccc1
InChIInChI=1S/C16H22N2O3S2/c1-3-5-9-12-23(20,21)17-16-18(13-10-7-6-8-11-13)15(19)14(4-2)22-16/h6-8,10-11,14H,3-5,9,12H2,1-2H3
InChIKeyKDYGDMKKJIRQGK-UHFFFAOYSA-N
XLogP3.42
TPSA66.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(5R)-5-butyl-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-4-chlorobenzenesulfonamide
CID 27317882
N-[(5S)-5-butyl-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-4-chlorobenzenesulfonamide
CID 27317879
2-[(5S)-2-(benzenesulfonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 41168164
5-[(2-methylphenyl)methyl]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 4545472
2-[2-(benzenesulfonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide
CID 3593657
2-[2-(benzenesulfonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]-N-(4-chlorophenyl)acetamide
CID 4260826
N-(4-methoxyphenyl)-2-(4-oxo-3-phenyl-2-thiophen-2-ylsulfonylimino-1,3-thiazolidin-5-yl)acetamide
CID 4317700
N-(4-methoxyphenyl)-2-[(5R)-4-oxo-3-phenyl-2-thiophen-2-ylsulfonylimino-1,3-thiazolidin-5-yl]acetamide
CID 51445664
2-[(5R)-2-(4-bromophenyl)sulfonylimino-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide
CID 98157005
3,4-diethyl-1-phenylpyrrolidine-2,5-dione
CID 20609571
2-[(5R)-2-(4-chlorophenyl)sulfonylimino-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide
CID 98157237
N-methyl-2-[(5R)-4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 1384539

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)pentane-1-sulfonamide?
The IUPAC name of N-(5-ethyl-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)pentane-1-sulfonamide (CID 71951884) is N-(5-ethyl-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)pentane-1-sulfonamide.
What is the SMILES notation for N-(5-ethyl-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)pentane-1-sulfonamide?
The canonical SMILES for N-(5-ethyl-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)pentane-1-sulfonamide is CCCCCS(=O)(=O)N=C1SC(CC)C(=O)N1c1ccccc1.
What is the InChIKey of N-(5-ethyl-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)pentane-1-sulfonamide?
The InChIKey is KDYGDMKKJIRQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S2/c1-3-5-9-12-23(20,21)17-16-18(13-10-7-6-8-11-13)15(19)14(4-2)22-16/h6-8,10-11,14H,3-5,9,12H2,1-2H3.
What are the key properties of N-(5-ethyl-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)pentane-1-sulfonamide?
N-(5-ethyl-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)pentane-1-sulfonamide has a molecular weight of 354.50 g/mol, XLogP of 3.42, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)pentane-1-sulfonamide is sourced from PubChem (CID 71951884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).