(NZ)-4-ethyl-N-[(5E)-3-ethyl-5-(furan-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide

C18H18N2O4S2 — CID 6372518

IUPAC(NZ)-4-ethyl-N-[(5E)-3-ethyl-5-(furan-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)/N=C2\S/C(=C/c3ccco3)C(=O)N2CC)cc1
InChIInChI=1S/C18H18N2O4S2/c1-3-13-7-9-15(10-8-13)26(22,23)19-18-20(4-2)17(21)16(25-18)12-14-6-5-11-24-14/h5-12H,3-4H2,1-2H3/b16-12+,19-18-
InChIKeyAXVZFQYEGWRZQC-BOXNHUFISA-N
MW390.49 g/mol
LogP3.52
Rot. Bonds5

About (NZ)-4-ethyl-N-[(5E)-3-ethyl-5-(furan-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide

(NZ)-4-ethyl-N-[(5E)-3-ethyl-5-(furan-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide (PubChem CID 6372518) has the molecular formula C18H18N2O4S2 and a molecular weight of 390.49 g/mol. Its IUPAC name is (NZ)-4-ethyl-N-[(5E)-3-ethyl-5-(furan-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide.

Molecular Properties

Compound Name(NZ)-4-ethyl-N-[(5E)-3-ethyl-5-(furan-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide
PubChem CID6372518
Molecular FormulaC18H18N2O4S2
Molecular Weight390.49 g/mol
Exact Mass390.07
IUPAC Name(NZ)-4-ethyl-N-[(5E)-3-ethyl-5-(furan-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)/N=C2\S/C(=C/c3ccco3)C(=O)N2CC)cc1
InChIInChI=1S/C18H18N2O4S2/c1-3-13-7-9-15(10-8-13)26(22,23)19-18-20(4-2)17(21)16(25-18)12-14-6-5-11-24-14/h5-12H,3-4H2,1-2H3/b16-12+,19-18-
InChIKeyAXVZFQYEGWRZQC-BOXNHUFISA-N
XLogP3.52
TPSA79.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(NZ)-4-ethyl-N-[(5Z)-5-(furan-2-ylmethylidene)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 178186790
N-[(5Z)-3-ethyl-5-(furan-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide
CID 7273187
(NE)-5-chloro-N-[(5Z)-3-ethyl-5-(furan-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide
CID 18811403
3-ethyl-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 4760530
(NE)-N-[(5Z)-5-benzylidene-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]-4-ethylbenzenesulfonamide
CID 6294561
(5E)-3-ethyl-2-(4-fluorophenyl)imino-5-(furan-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 126237131
2-(4-ethoxyphenyl)imino-3-ethyl-5-(furan-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 1231908
N-[(5E)-5-(dimethylaminomethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-4-methylbenzenesulfonamide
CID 2133648
N-[5-[(4-bromophenyl)methylidene]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]-4-ethylbenzenesulfonamide
CID 3331759
N-[(5Z)-5-[(4-bromophenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-4-chlorobenzenesulfonamide
CID 42228239
4-ethyl-N-[(5Z)-4-oxo-3-prop-2-enyl-5-(quinolin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 51445589
(5Z)-3-(4-ethylphenyl)-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2191779

Frequently Asked Questions

What is the IUPAC name of (NZ)-4-ethyl-N-[(5E)-3-ethyl-5-(furan-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide?
The IUPAC name of (NZ)-4-ethyl-N-[(5E)-3-ethyl-5-(furan-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide (CID 6372518) is (NZ)-4-ethyl-N-[(5E)-3-ethyl-5-(furan-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide.
What is the SMILES notation for (NZ)-4-ethyl-N-[(5E)-3-ethyl-5-(furan-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide?
The canonical SMILES for (NZ)-4-ethyl-N-[(5E)-3-ethyl-5-(furan-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide is CCc1ccc(S(=O)(=O)/N=C2\S/C(=C/c3ccco3)C(=O)N2CC)cc1.
What is the InChIKey of (NZ)-4-ethyl-N-[(5E)-3-ethyl-5-(furan-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide?
The InChIKey is AXVZFQYEGWRZQC-BOXNHUFISA-N. The full InChI is InChI=1S/C18H18N2O4S2/c1-3-13-7-9-15(10-8-13)26(22,23)19-18-20(4-2)17(21)16(25-18)12-14-6-5-11-24-14/h5-12H,3-4H2,1-2H3/b16-12+,19-18-.
What are the key properties of (NZ)-4-ethyl-N-[(5E)-3-ethyl-5-(furan-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide?
(NZ)-4-ethyl-N-[(5E)-3-ethyl-5-(furan-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide has a molecular weight of 390.49 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-4-ethyl-N-[(5E)-3-ethyl-5-(furan-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide is sourced from PubChem (CID 6372518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).