N-(5-ethyl-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)thiophene-2-sulfonamide

C12H14N2O3S3 — CID 4535450

IUPACN-(5-ethyl-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)thiophene-2-sulfonamide
SMILESC=CCN1C(=O)C(CC)SC1=NS(=O)(=O)c1cccs1
InChIInChI=1S/C12H14N2O3S3/c1-3-7-14-11(15)9(4-2)19-12(14)13-20(16,17)10-6-5-8-18-10/h3,5-6,8-9H,1,4,7H2,2H3
InChIKeyFVPGUXKGRQWVHQ-UHFFFAOYSA-N
MW330.46 g/mol
LogP2.33
Rot. Bonds5

About N-(5-ethyl-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)thiophene-2-sulfonamide

N-(5-ethyl-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)thiophene-2-sulfonamide (PubChem CID 4535450) has the molecular formula C12H14N2O3S3 and a molecular weight of 330.46 g/mol. Its IUPAC name is N-(5-ethyl-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(5-ethyl-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)thiophene-2-sulfonamide
PubChem CID4535450
Molecular FormulaC12H14N2O3S3
Molecular Weight330.46 g/mol
Exact Mass330.02
IUPAC NameN-(5-ethyl-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)thiophene-2-sulfonamide
SMILESC=CCN1C(=O)C(CC)SC1=NS(=O)(=O)c1cccs1
InChIInChI=1S/C12H14N2O3S3/c1-3-7-14-11(15)9(4-2)19-12(14)13-20(16,17)10-6-5-8-18-10/h3,5-6,8-9H,1,4,7H2,2H3
InChIKeyFVPGUXKGRQWVHQ-UHFFFAOYSA-N
XLogP2.33
TPSA66.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(5S)-5-methyl-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide
CID 7273269
N-(2-methylphenyl)-2-[(5S)-4-oxo-3-prop-2-enyl-2-thiophen-2-ylsulfonylimino-1,3-thiazolidin-5-yl]acetamide
CID 51445654
N-[(5R)-3-cyclohexyl-5-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide
CID 2443118
(NZ)-N-[(5Z)-4-oxo-3-prop-2-enyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide
CID 18398171
N-[(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide
CID 51445696
2-[(2Z)-2-(benzenesulfonylimino)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 18477647
2-[(5R)-2-(benzenesulfonylimino)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 41168171
N-[(5R)-3,5-diethyl-4-oxo-1,3-thiazolidin-2-ylidene]-4-fluorobenzenesulfonamide
CID 2141666
N-[(5R)-3-cyclohexyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide
CID 51575167
(NE)-4-bromo-N-(5-methyl-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)benzenesulfonamide
CID 6246576
2-[(5S)-2-(benzenesulfonylimino)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(4-chlorophenyl)acetamide
CID 1236136
N-(4-fluorophenyl)-2-[(5S)-2-(4-fluorophenyl)sulfonylimino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
CID 51567016

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)thiophene-2-sulfonamide?
The IUPAC name of N-(5-ethyl-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)thiophene-2-sulfonamide (CID 4535450) is N-(5-ethyl-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)thiophene-2-sulfonamide.
What is the SMILES notation for N-(5-ethyl-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)thiophene-2-sulfonamide?
The canonical SMILES for N-(5-ethyl-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)thiophene-2-sulfonamide is C=CCN1C(=O)C(CC)SC1=NS(=O)(=O)c1cccs1.
What is the InChIKey of N-(5-ethyl-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)thiophene-2-sulfonamide?
The InChIKey is FVPGUXKGRQWVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S3/c1-3-7-14-11(15)9(4-2)19-12(14)13-20(16,17)10-6-5-8-18-10/h3,5-6,8-9H,1,4,7H2,2H3.
What are the key properties of N-(5-ethyl-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)thiophene-2-sulfonamide?
N-(5-ethyl-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)thiophene-2-sulfonamide has a molecular weight of 330.46 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)thiophene-2-sulfonamide is sourced from PubChem (CID 4535450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).