N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]-1H-indole-6-carboxamide

C20H21N3O3S — CID 126795841

IUPACN-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]-1H-indole-6-carboxamide
SMILESCC(NC(=O)c1ccc2cc[nH]c2c1)c1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C20H21N3O3S/c1-14(22-20(24)17-4-3-16-9-10-21-19(16)13-17)15-5-7-18(8-6-15)23-11-2-12-27(23,25)26/h3-10,13-14,21H,2,11-12H2,1H3,(H,22,24)
InChIKeyDUQVPDQYNYBACI-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.20
Rot. Bonds4

About N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]-1H-indole-6-carboxamide

N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]-1H-indole-6-carboxamide (PubChem CID 126795841) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]-1H-indole-6-carboxamide
PubChem CID126795841
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]-1H-indole-6-carboxamide
SMILESCC(NC(=O)c1ccc2cc[nH]c2c1)c1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C20H21N3O3S/c1-14(22-20(24)17-4-3-16-9-10-21-19(16)13-17)15-5-7-18(8-6-15)23-11-2-12-27(23,25)26/h3-10,13-14,21H,2,11-12H2,1H3,(H,22,24)
InChIKeyDUQVPDQYNYBACI-UHFFFAOYSA-N
XLogP3.20
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]-1H-indole-6-carboxamide with MolForge

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Related Compounds

4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(1-phenylethyl)benzamide
CID 18108333
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[1-(4-methylphenyl)ethyl]benzamide
CID 46586730
N-[1-(3-benzamidophenyl)ethyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 55693559
N-[1-(4-tert-butylphenyl)ethyl]-3-(1,1-dioxothiazinan-2-yl)benzamide
CID 132664679
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]benzamide
CID 42333076
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(1-thiophen-2-ylethyl)benzamide
CID 18110994
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 18591757
4-(1,1-dioxothiazinan-2-yl)-3-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 7685921
(1R)-1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-methylethanamine
CID 93256546
N-butan-2-yl-1H-indole-6-carboxamide
CID 47190406
N-[1-(3-bromophenyl)ethyl]-1H-indole-5-carboxamide
CID 63716758
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 24547721

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]-1H-indole-6-carboxamide?
The IUPAC name of N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]-1H-indole-6-carboxamide (CID 126795841) is N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]-1H-indole-6-carboxamide.
What is the SMILES notation for N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]-1H-indole-6-carboxamide?
The canonical SMILES for N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]-1H-indole-6-carboxamide is CC(NC(=O)c1ccc2cc[nH]c2c1)c1ccc(N2CCCS2(=O)=O)cc1.
What is the InChIKey of N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]-1H-indole-6-carboxamide?
The InChIKey is DUQVPDQYNYBACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-14(22-20(24)17-4-3-16-9-10-21-19(16)13-17)15-5-7-18(8-6-15)23-11-2-12-27(23,25)26/h3-10,13-14,21H,2,11-12H2,1H3,(H,22,24).
What are the key properties of N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]-1H-indole-6-carboxamide?
N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]-1H-indole-6-carboxamide has a molecular weight of 383.47 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]-1H-indole-6-carboxamide is sourced from PubChem (CID 126795841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).