N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide

C18H23N3O2S — CID 56787167

IUPACN-[2-(7-ethyl-1H-indol-3-yl)ethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESCCc1cccc2c(CCNC(=O)CCN3CCSC3=O)c[nH]c12
InChIInChI=1S/C18H23N3O2S/c1-2-13-4-3-5-15-14(12-20-17(13)15)6-8-19-16(22)7-9-21-10-11-24-18(21)23/h3-5,12,20H,2,6-11H2,1H3,(H,19,22)
InChIKeyBUYYUJVFKYATEJ-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.95
Rot. Bonds7

About N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide

N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (PubChem CID 56787167) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.

Molecular Properties

Compound NameN-[2-(7-ethyl-1H-indol-3-yl)ethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
PubChem CID56787167
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC NameN-[2-(7-ethyl-1H-indol-3-yl)ethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESCCc1cccc2c(CCNC(=O)CCN3CCSC3=O)c[nH]c12
InChIInChI=1S/C18H23N3O2S/c1-2-13-4-3-5-15-14(12-20-17(13)15)6-8-19-16(22)7-9-21-10-11-24-18(21)23/h3-5,12,20H,2,6-11H2,1H3,(H,19,22)
InChIKeyBUYYUJVFKYATEJ-UHFFFAOYSA-N
XLogP2.95
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-4-(methylamino)butanamide
CID 119779419
N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide
CID 111117711
N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111117710
1-[2-(7-ethyl-1H-indol-3-yl)ethyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine
CID 111834479
4-(aminomethyl)-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]benzamide;hydrochloride
CID 119321134
1-[2-(7-ethyl-1H-indol-3-yl)ethyl]-2-methyl-3-(2-methylpropyl)guanidine
CID 111835579
N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-(5-methyltetrazol-1-yl)propanamide
CID 118764571
N-(1,3-benzodioxol-5-ylmethyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 18108119
N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 18120256
N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-1,1-dioxothiolane-3-carboxamide
CID 56787168
(2S,5R)-5-(aminomethyl)-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]oxolane-2-carboxamide
CID 120792678
2-(aminomethyl)-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 119779445

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The IUPAC name of N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (CID 56787167) is N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.
What is the SMILES notation for N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The canonical SMILES for N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is CCc1cccc2c(CCNC(=O)CCN3CCSC3=O)c[nH]c12.
What is the InChIKey of N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The InChIKey is BUYYUJVFKYATEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-2-13-4-3-5-15-14(12-20-17(13)15)6-8-19-16(22)7-9-21-10-11-24-18(21)23/h3-5,12,20H,2,6-11H2,1H3,(H,19,22).
What are the key properties of N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide has a molecular weight of 345.47 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is sourced from PubChem (CID 56787167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).