N-[(1R,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-2-indol-1-ylacetamide

C19H21N3O3S — CID 51896526

IUPACN-[(1R,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-2-indol-1-ylacetamide
SMILESO=C(Cn1ccc2ccccc21)N[C@@H]1CCCC[C@@H]1N1C(=O)CSC1=O
InChIInChI=1S/C19H21N3O3S/c23-17(11-21-10-9-13-5-1-3-7-15(13)21)20-14-6-2-4-8-16(14)22-18(24)12-26-19(22)25/h1,3,5,7,9-10,14,16H,2,4,6,8,11-12H2,(H,20,23)/t14-,16+/m1/s1
InChIKeyDBVFKGHRBLZWJL-ZBFHGGJFSA-N
MW371.46 g/mol
LogP2.76
Rot. Bonds4

About N-[(1R,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-2-indol-1-ylacetamide

N-[(1R,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-2-indol-1-ylacetamide (PubChem CID 51896526) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-[(1R,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-2-indol-1-ylacetamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-2-indol-1-ylacetamide
PubChem CID51896526
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC NameN-[(1R,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-2-indol-1-ylacetamide
SMILESO=C(Cn1ccc2ccccc21)N[C@@H]1CCCC[C@@H]1N1C(=O)CSC1=O
InChIInChI=1S/C19H21N3O3S/c23-17(11-21-10-9-13-5-1-3-7-15(13)21)20-14-6-2-4-8-16(14)22-18(24)12-26-19(22)25/h1,3,5,7,9-10,14,16H,2,4,6,8,11-12H2,(H,20,23)/t14-,16+/m1/s1
InChIKeyDBVFKGHRBLZWJL-ZBFHGGJFSA-N
XLogP2.76
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(benzimidazol-1-yl)-N-[(1R,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]acetamide
CID 51896536
1-benzyl-3-[(1S,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]urea
CID 51896521
N-[(1R,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-2-oxochromene-3-carboxamide
CID 35569573
1-cyclopentyl-2-indol-1-ylethanone
CID 104751207
(1S,3S,4S)-N-cyclobutyl-3-hydroxy-4-[(2-indol-1-ylacetyl)amino]cyclohexane-1-carboxamide
CID 155915048
N-[(1S,2R)-2-methylcyclohexyl]-2-(1-oxoisoquinolin-2-yl)acetamide
CID 9354452
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-4-[2-(2-indol-1-ylacetyl)hydrazinyl]-4-oxobutanamide
CID 7316987
N-[(1S,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-2-phenyltriazole-4-carboxamide
CID 51896523
N-[(1S,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-2-phenyltriazole-4-carboxamide
CID 51896525
N'-acetyl-2-indol-1-ylacetohydrazide
CID 4587603
N-cycloheptyl-2-(1-oxoisoquinolin-2-yl)acetamide
CID 22334244
2-indol-1-yl-N-(oxolan-2-ylmethyl)acetamide
CID 5125884

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-2-indol-1-ylacetamide?
The IUPAC name of N-[(1R,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-2-indol-1-ylacetamide (CID 51896526) is N-[(1R,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-2-indol-1-ylacetamide.
What is the SMILES notation for N-[(1R,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-2-indol-1-ylacetamide?
The canonical SMILES for N-[(1R,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-2-indol-1-ylacetamide is O=C(Cn1ccc2ccccc21)N[C@@H]1CCCC[C@@H]1N1C(=O)CSC1=O.
What is the InChIKey of N-[(1R,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-2-indol-1-ylacetamide?
The InChIKey is DBVFKGHRBLZWJL-ZBFHGGJFSA-N. The full InChI is InChI=1S/C19H21N3O3S/c23-17(11-21-10-9-13-5-1-3-7-15(13)21)20-14-6-2-4-8-16(14)22-18(24)12-26-19(22)25/h1,3,5,7,9-10,14,16H,2,4,6,8,11-12H2,(H,20,23)/t14-,16+/m1/s1.
What are the key properties of N-[(1R,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-2-indol-1-ylacetamide?
N-[(1R,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-2-indol-1-ylacetamide has a molecular weight of 371.46 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-2-indol-1-ylacetamide is sourced from PubChem (CID 51896526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).