N-[2-[(5E)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-4-cyclopentyloxy-3-methoxybenzamide

C25H26N2O5S — CID 52651946

IUPACN-[2-[(5E)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-4-cyclopentyloxy-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCCN2C(=O)S/C(=C/c3ccccc3)C2=O)ccc1OC1CCCC1
InChIInChI=1S/C25H26N2O5S/c1-31-21-16-18(11-12-20(21)32-19-9-5-6-10-19)23(28)26-13-14-27-24(29)22(33-25(27)30)15-17-7-3-2-4-8-17/h2-4,7-8,11-12,15-16,19H,5-6,9-10,13-14H2,1H3,(H,26,28)/b22-15+
InChIKeySLNCBYZZMIXUNX-PXLXIMEGSA-N
MW466.56 g/mol
LogP4.48
Rot. Bonds8

About N-[2-[(5E)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-4-cyclopentyloxy-3-methoxybenzamide

N-[2-[(5E)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-4-cyclopentyloxy-3-methoxybenzamide (PubChem CID 52651946) has the molecular formula C25H26N2O5S and a molecular weight of 466.56 g/mol. Its IUPAC name is N-[2-[(5E)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-4-cyclopentyloxy-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[(5E)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-4-cyclopentyloxy-3-methoxybenzamide
PubChem CID52651946
Molecular FormulaC25H26N2O5S
Molecular Weight466.56 g/mol
Exact Mass466.16
IUPAC NameN-[2-[(5E)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-4-cyclopentyloxy-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCCN2C(=O)S/C(=C/c3ccccc3)C2=O)ccc1OC1CCCC1
InChIInChI=1S/C25H26N2O5S/c1-31-21-16-18(11-12-20(21)32-19-9-5-6-10-19)23(28)26-13-14-27-24(29)22(33-25(27)30)15-17-7-3-2-4-8-17/h2-4,7-8,11-12,15-16,19H,5-6,9-10,13-14H2,1H3,(H,26,28)/b22-15+
InChIKeySLNCBYZZMIXUNX-PXLXIMEGSA-N
XLogP4.48
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 54.48
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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Related Compounds

N-[2-(5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-4-bromobenzamide
CID 5125609
N-[2-(5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-3-chloro-4-hydroxybenzamide
CID 71904415
N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]cyclopropanecarboxamide
CID 26186571
N-[3-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethylamino]-3-oxopropyl]naphthalene-2-carboxamide
CID 46586320
N-[2-[(5E)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(2-methoxyethoxy)benzamide
CID 55997693
(6S)-N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 2479992
N-[2-[5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-4-(phenoxymethyl)benzamide
CID 3493419
2-cyclopentyl-N-[2-[(5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]acetamide
CID 6214440
N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-hydroxy-4-methoxybenzamide
CID 27614579
N-[2-[(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(2-methoxyphenyl)acetamide
CID 6180361
3-methoxy-N-[2-[(5Z)-5-[(4-methylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]benzamide
CID 7921251
N-[2-[(5Z)-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-6-methoxypyridine-3-carboxamide
CID 24547127

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5E)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-4-cyclopentyloxy-3-methoxybenzamide?
The IUPAC name of N-[2-[(5E)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-4-cyclopentyloxy-3-methoxybenzamide (CID 52651946) is N-[2-[(5E)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-4-cyclopentyloxy-3-methoxybenzamide.
What is the SMILES notation for N-[2-[(5E)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-4-cyclopentyloxy-3-methoxybenzamide?
The canonical SMILES for N-[2-[(5E)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-4-cyclopentyloxy-3-methoxybenzamide is COc1cc(C(=O)NCCN2C(=O)S/C(=C/c3ccccc3)C2=O)ccc1OC1CCCC1.
What is the InChIKey of N-[2-[(5E)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-4-cyclopentyloxy-3-methoxybenzamide?
The InChIKey is SLNCBYZZMIXUNX-PXLXIMEGSA-N. The full InChI is InChI=1S/C25H26N2O5S/c1-31-21-16-18(11-12-20(21)32-19-9-5-6-10-19)23(28)26-13-14-27-24(29)22(33-25(27)30)15-17-7-3-2-4-8-17/h2-4,7-8,11-12,15-16,19H,5-6,9-10,13-14H2,1H3,(H,26,28)/b22-15+.
What are the key properties of N-[2-[(5E)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-4-cyclopentyloxy-3-methoxybenzamide?
N-[2-[(5E)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-4-cyclopentyloxy-3-methoxybenzamide has a molecular weight of 466.56 g/mol, XLogP of 4.48, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5E)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-4-cyclopentyloxy-3-methoxybenzamide is sourced from PubChem (CID 52651946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).