N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]ethyl]-5-methoxy-1H-indole-2-carboxamide

C22H21N3O4S — CID 22418098

IUPACN-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]ethyl]-5-methoxy-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)NCCc3ccc(CC4SC(=O)NC4=O)cc3)cc2c1
InChIInChI=1S/C22H21N3O4S/c1-29-16-6-7-17-15(11-16)12-18(24-17)20(26)23-9-8-13-2-4-14(5-3-13)10-19-21(27)25-22(28)30-19/h2-7,11-12,19,24H,8-10H2,1H3,(H,23,26)(H,25,27,28)
InChIKeyRFOVMCLRQTYVFI-UHFFFAOYSA-N
MW423.49 g/mol
LogP3.04
Rot. Bonds7

About N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]ethyl]-5-methoxy-1H-indole-2-carboxamide

N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]ethyl]-5-methoxy-1H-indole-2-carboxamide (PubChem CID 22418098) has the molecular formula C22H21N3O4S and a molecular weight of 423.49 g/mol. Its IUPAC name is N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]ethyl]-5-methoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]ethyl]-5-methoxy-1H-indole-2-carboxamide
PubChem CID22418098
Molecular FormulaC22H21N3O4S
Molecular Weight423.49 g/mol
Exact Mass423.13
IUPAC NameN-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]ethyl]-5-methoxy-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)NCCc3ccc(CC4SC(=O)NC4=O)cc3)cc2c1
InChIInChI=1S/C22H21N3O4S/c1-29-16-6-7-17-15(11-16)12-18(24-17)20(26)23-9-8-13-2-4-14(5-3-13)10-19-21(27)25-22(28)30-19/h2-7,11-12,19,24H,8-10H2,1H3,(H,23,26)(H,25,27,28)
InChIKeyRFOVMCLRQTYVFI-UHFFFAOYSA-N
XLogP3.04
TPSA100.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-N-[2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 113207269
N-[2-(4-methoxyphenyl)ethyl]-5-nitro-1H-indole-2-carboxamide
CID 127051943
5-chloro-N-[2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 113207205
5-methoxy-N-(2-piperidin-1-ylethyl)-1H-indole-2-carboxamide
CID 2742916
5-chloro-N-[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]propyl]-2-methoxybenzamide
CID 22418104
6-chloro-N-[2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 113207539
N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]ethyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 22418100
N-[2-(4-fluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide
CID 36704078
N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692315
5-[[4-[4-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]phenoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 10310674
5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide
CID 110847836
[4-[[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenyl] acetate
CID 6976399

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]ethyl]-5-methoxy-1H-indole-2-carboxamide?
The IUPAC name of N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]ethyl]-5-methoxy-1H-indole-2-carboxamide (CID 22418098) is N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]ethyl]-5-methoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]ethyl]-5-methoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]ethyl]-5-methoxy-1H-indole-2-carboxamide is COc1ccc2[nH]c(C(=O)NCCc3ccc(CC4SC(=O)NC4=O)cc3)cc2c1.
What is the InChIKey of N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]ethyl]-5-methoxy-1H-indole-2-carboxamide?
The InChIKey is RFOVMCLRQTYVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4S/c1-29-16-6-7-17-15(11-16)12-18(24-17)20(26)23-9-8-13-2-4-14(5-3-13)10-19-21(27)25-22(28)30-19/h2-7,11-12,19,24H,8-10H2,1H3,(H,23,26)(H,25,27,28).
What are the key properties of N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]ethyl]-5-methoxy-1H-indole-2-carboxamide?
N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]ethyl]-5-methoxy-1H-indole-2-carboxamide has a molecular weight of 423.49 g/mol, XLogP of 3.04, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]ethyl]-5-methoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 22418098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).