N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-1,1-dioxothiolane-3-carboxamide

C17H22N2O3S — CID 56787168

IUPACN-[2-(7-ethyl-1H-indol-3-yl)ethyl]-1,1-dioxothiolane-3-carboxamide
SMILESCCc1cccc2c(CCNC(=O)C3CCS(=O)(=O)C3)c[nH]c12
InChIInChI=1S/C17H22N2O3S/c1-2-12-4-3-5-15-13(10-19-16(12)15)6-8-18-17(20)14-7-9-23(21,22)11-14/h3-5,10,14,19H,2,6-9,11H2,1H3,(H,18,20)
InChIKeyFZZDBBPVMBARSJ-UHFFFAOYSA-N
MW334.44 g/mol
LogP1.82
Rot. Bonds5

About N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-1,1-dioxothiolane-3-carboxamide

N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-1,1-dioxothiolane-3-carboxamide (PubChem CID 56787168) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-1,1-dioxothiolane-3-carboxamide.

Molecular Properties

Compound NameN-[2-(7-ethyl-1H-indol-3-yl)ethyl]-1,1-dioxothiolane-3-carboxamide
PubChem CID56787168
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC NameN-[2-(7-ethyl-1H-indol-3-yl)ethyl]-1,1-dioxothiolane-3-carboxamide
SMILESCCc1cccc2c(CCNC(=O)C3CCS(=O)(=O)C3)c[nH]c12
InChIInChI=1S/C17H22N2O3S/c1-2-12-4-3-5-15-13(10-19-16(12)15)6-8-18-17(20)14-7-9-23(21,22)11-14/h3-5,10,14,19H,2,6-9,11H2,1H3,(H,18,20)
InChIKeyFZZDBBPVMBARSJ-UHFFFAOYSA-N
XLogP1.82
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methylphenyl)ethyl]-1,1-dioxothiolane-3-carboxamide
CID 18156664
(2S,5R)-5-(aminomethyl)-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]oxolane-2-carboxamide
CID 120792678
3-amino-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119779424
4-(aminomethyl)-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]benzamide;hydrochloride
CID 119321134
N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide
CID 111117711
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;hydroiodide
CID 111117710
N-[2-(3-fluorophenyl)ethyl]-1,1-dioxothiolane-3-carboxamide
CID 18157335
(3R)-N-[2-(7-chloro-1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 138057346
1-[(7-ethyl-1H-indol-3-yl)methyl]azetidine-3-carboxylic acid
CID 65071937
N-[2-(7-methyl-1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide
CID 119322310
1-[(3R)-1,1-dioxothiolan-3-yl]-3-[2-(1H-indol-3-yl)ethyl]urea
CID 129367988

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-1,1-dioxothiolane-3-carboxamide?
The IUPAC name of N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-1,1-dioxothiolane-3-carboxamide (CID 56787168) is N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-1,1-dioxothiolane-3-carboxamide.
What is the SMILES notation for N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-1,1-dioxothiolane-3-carboxamide?
The canonical SMILES for N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-1,1-dioxothiolane-3-carboxamide is CCc1cccc2c(CCNC(=O)C3CCS(=O)(=O)C3)c[nH]c12.
What is the InChIKey of N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-1,1-dioxothiolane-3-carboxamide?
The InChIKey is FZZDBBPVMBARSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-2-12-4-3-5-15-13(10-19-16(12)15)6-8-18-17(20)14-7-9-23(21,22)11-14/h3-5,10,14,19H,2,6-9,11H2,1H3,(H,18,20).
What are the key properties of N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-1,1-dioxothiolane-3-carboxamide?
N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-1,1-dioxothiolane-3-carboxamide has a molecular weight of 334.44 g/mol, XLogP of 1.82, 5 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]-1,1-dioxothiolane-3-carboxamide is sourced from PubChem (CID 56787168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).