3-acetyl-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1,3-thiazolidine-4-carboxamide

C22H22ClN3O2S — CID 47080821

IUPAC3-acetyl-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1,3-thiazolidine-4-carboxamide
SMILESCC(=O)N1CSCC1C(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12
InChIInChI=1S/C22H22ClN3O2S/c1-14(27)26-13-29-12-21(26)22(28)25-11-17(15-6-2-4-8-19(15)23)18-10-24-20-9-5-3-7-16(18)20/h2-10,17,21,24H,11-13H2,1H3,(H,25,28)
InChIKeyMAWJCGZYDDLZEE-UHFFFAOYSA-N
MW427.96 g/mol
LogP3.99
Rot. Bonds5

About 3-acetyl-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1,3-thiazolidine-4-carboxamide

3-acetyl-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 47080821) has the molecular formula C22H22ClN3O2S and a molecular weight of 427.96 g/mol. Its IUPAC name is 3-acetyl-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-acetyl-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1,3-thiazolidine-4-carboxamide
PubChem CID47080821
Molecular FormulaC22H22ClN3O2S
Molecular Weight427.96 g/mol
Exact Mass427.11
IUPAC Name3-acetyl-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1,3-thiazolidine-4-carboxamide
SMILESCC(=O)N1CSCC1C(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12
InChIInChI=1S/C22H22ClN3O2S/c1-14(27)26-13-29-12-21(26)22(28)25-11-17(15-6-2-4-8-19(15)23)18-10-24-20-9-5-3-7-16(18)20/h2-10,17,21,24H,11-13H2,1H3,(H,25,28)
InChIKeyMAWJCGZYDDLZEE-UHFFFAOYSA-N
XLogP3.99
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.96
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-acetyl-N-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 9425344
(3R)-N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 96998716
N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 39972306
3-[[3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carbonyl]amino]-2-methylpropanoic acid
CID 119237232
N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-methylsulfanylacetamide
CID 51155316
(3S)-N-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1,1-dioxothiolane-3-carboxamide
CID 9088810
(3R)-N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1,1-dioxothiolane-3-carboxamide
CID 9088811
trans-(1R,2R)-N-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-nitrocyclopropane-1-carboxamide
CID 98681469
2-(carbamoylamino)-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]propanamide
CID 18158757
2-amino-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-methoxypropanamide
CID 120984721
N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]naphthalene-1-carboxamide
CID 154810722
N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 35680929

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-acetyl-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1,3-thiazolidine-4-carboxamide (CID 47080821) is 3-acetyl-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-acetyl-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-acetyl-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1,3-thiazolidine-4-carboxamide is CC(=O)N1CSCC1C(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12.
What is the InChIKey of 3-acetyl-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is MAWJCGZYDDLZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2S/c1-14(27)26-13-29-12-21(26)22(28)25-11-17(15-6-2-4-8-19(15)23)18-10-24-20-9-5-3-7-16(18)20/h2-10,17,21,24H,11-13H2,1H3,(H,25,28).
What are the key properties of 3-acetyl-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1,3-thiazolidine-4-carboxamide?
3-acetyl-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 427.96 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 47080821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).