N-[2-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethylamino]-2-oxoethyl]-N-methylfuran-2-carboxamide

C20H19N3O5S — CID 30686326

IUPACN-[2-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethylamino]-2-oxoethyl]-N-methylfuran-2-carboxamide
SMILESCN(CC(=O)NCCN1C(=O)S/C(=C\c2ccccc2)C1=O)C(=O)c1ccco1
InChIInChI=1S/C20H19N3O5S/c1-22(18(25)15-8-5-11-28-15)13-17(24)21-9-10-23-19(26)16(29-20(23)27)12-14-6-3-2-4-7-14/h2-8,11-12H,9-10,13H2,1H3,(H,21,24)/b16-12-
InChIKeyKCJVTGUAZADHAN-VBKFSLOCSA-N
MW413.46 g/mol
LogP2.20
Rot. Bonds7

About N-[2-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethylamino]-2-oxoethyl]-N-methylfuran-2-carboxamide

N-[2-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethylamino]-2-oxoethyl]-N-methylfuran-2-carboxamide (PubChem CID 30686326) has the molecular formula C20H19N3O5S and a molecular weight of 413.46 g/mol. Its IUPAC name is N-[2-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethylamino]-2-oxoethyl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethylamino]-2-oxoethyl]-N-methylfuran-2-carboxamide
PubChem CID30686326
Molecular FormulaC20H19N3O5S
Molecular Weight413.46 g/mol
Exact Mass413.10
IUPAC NameN-[2-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethylamino]-2-oxoethyl]-N-methylfuran-2-carboxamide
SMILESCN(CC(=O)NCCN1C(=O)S/C(=C\c2ccccc2)C1=O)C(=O)c1ccco1
InChIInChI=1S/C20H19N3O5S/c1-22(18(25)15-8-5-11-28-15)13-17(24)21-9-10-23-19(26)16(29-20(23)27)12-14-6-3-2-4-7-14/h2-8,11-12H,9-10,13H2,1H3,(H,21,24)/b16-12-
InChIKeyKCJVTGUAZADHAN-VBKFSLOCSA-N
XLogP2.20
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethylamino]-2-oxoethyl]-N-methylfuran-2-carboxamide?
The IUPAC name of N-[2-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethylamino]-2-oxoethyl]-N-methylfuran-2-carboxamide (CID 30686326) is N-[2-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethylamino]-2-oxoethyl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for N-[2-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethylamino]-2-oxoethyl]-N-methylfuran-2-carboxamide?
The canonical SMILES for N-[2-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethylamino]-2-oxoethyl]-N-methylfuran-2-carboxamide is CN(CC(=O)NCCN1C(=O)S/C(=C\c2ccccc2)C1=O)C(=O)c1ccco1.
What is the InChIKey of N-[2-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethylamino]-2-oxoethyl]-N-methylfuran-2-carboxamide?
The InChIKey is KCJVTGUAZADHAN-VBKFSLOCSA-N. The full InChI is InChI=1S/C20H19N3O5S/c1-22(18(25)15-8-5-11-28-15)13-17(24)21-9-10-23-19(26)16(29-20(23)27)12-14-6-3-2-4-7-14/h2-8,11-12H,9-10,13H2,1H3,(H,21,24)/b16-12-.
What are the key properties of N-[2-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethylamino]-2-oxoethyl]-N-methylfuran-2-carboxamide?
N-[2-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethylamino]-2-oxoethyl]-N-methylfuran-2-carboxamide has a molecular weight of 413.46 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethylamino]-2-oxoethyl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 30686326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).