[4-(2,5-dichlorothiophen-3-yl)piperazin-1-yl]-(3-thiophen-2-yl-1H-indol-5-yl)methanone

C21H17Cl2N3OS2 — CID 22727397

IUPAC[4-(2,5-dichlorothiophen-3-yl)piperazin-1-yl]-(3-thiophen-2-yl-1H-indol-5-yl)methanone
SMILESO=C(c1ccc2[nH]cc(-c3cccs3)c2c1)N1CCN(c2cc(Cl)sc2Cl)CC1
InChIInChI=1S/C21H17Cl2N3OS2/c22-19-11-17(20(23)29-19)25-5-7-26(8-6-25)21(27)13-3-4-16-14(10-13)15(12-24-16)18-2-1-9-28-18/h1-4,9-12,24H,5-8H2
InChIKeyDQFZWKKMWJSBRJ-UHFFFAOYSA-N
MW462.43 g/mol
LogP6.23
Rot. Bonds3

About [4-(2,5-dichlorothiophen-3-yl)piperazin-1-yl]-(3-thiophen-2-yl-1H-indol-5-yl)methanone

[4-(2,5-dichlorothiophen-3-yl)piperazin-1-yl]-(3-thiophen-2-yl-1H-indol-5-yl)methanone (PubChem CID 22727397) has the molecular formula C21H17Cl2N3OS2 and a molecular weight of 462.43 g/mol. Its IUPAC name is [4-(2,5-dichlorothiophen-3-yl)piperazin-1-yl]-(3-thiophen-2-yl-1H-indol-5-yl)methanone.

Molecular Properties

Compound Name[4-(2,5-dichlorothiophen-3-yl)piperazin-1-yl]-(3-thiophen-2-yl-1H-indol-5-yl)methanone
PubChem CID22727397
Molecular FormulaC21H17Cl2N3OS2
Molecular Weight462.43 g/mol
Exact Mass461.02
IUPAC Name[4-(2,5-dichlorothiophen-3-yl)piperazin-1-yl]-(3-thiophen-2-yl-1H-indol-5-yl)methanone
SMILESO=C(c1ccc2[nH]cc(-c3cccs3)c2c1)N1CCN(c2cc(Cl)sc2Cl)CC1
InChIInChI=1S/C21H17Cl2N3OS2/c22-19-11-17(20(23)29-19)25-5-7-26(8-6-25)21(27)13-3-4-16-14(10-13)15(12-24-16)18-2-1-9-28-18/h1-4,9-12,24H,5-8H2
InChIKeyDQFZWKKMWJSBRJ-UHFFFAOYSA-N
XLogP6.23
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.43
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(2,5-dichlorothiophen-3-yl)piperazin-1-yl]-(3-thiophen-2-yl-1H-indol-5-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-{[2-(5-chlorothiophen-2-yl)-1,3-thiazol-5-yl]methyl}-N-[1-(propan-2-yl)piperidin-4-yl]-1H-indole-2-carboxamide
CID 20801019
4-chloro-N-(3-pyrrolidin-1-ylpropyl)thieno[3,2-c]quinoline-2-carboxamide
CID 6622499
1-(4-chlorophenyl)-2-(2-thienylcarbonyl)-2,3,4,9-tetrahydro-1H-beta-carboline
CID 3610662
4-chloro-8-methyl-N-(3-pyrrolidin-1-ylpropyl)thieno[3,2-c]quinoline-2-carboxamide
CID 16194083
N-{(E)-1-[2-(1H-Indol-3-yl)-ethylcarbamoyl]-2-thiophen-2-yl-vinyl}-benzamide
CID 1568295
2-[(4-Acetyl-phenyl)-(2-1H-indol-3-yl-acetyl)-amino]-N-cyclohexyl-2-thiophen-2-yl-acetamide
CID 3190913
N-[1-[(2E)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 9653950
N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-thiophen-3-ylacetamide
CID 16335094
then-2-oyl-Phe(4-Cl)-Phe-Arg-Trp-NH2
CID 44394735
then-3-oyl-Phe(4-Cl)-Phe-Arg-Trp-NH2
CID 44394736
1-[2-(diethylamino)ethyl]-3-(1H-indol-3-yl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 44452675
1-[4-(3-chlorothiophene-2-carbonyl)piperazin-1-yl]-2-(4-fluoro-1H-indol-3-yl)ethane-1,2-dione
CID 45486599

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dichlorothiophen-3-yl)piperazin-1-yl]-(3-thiophen-2-yl-1H-indol-5-yl)methanone?
The IUPAC name of [4-(2,5-dichlorothiophen-3-yl)piperazin-1-yl]-(3-thiophen-2-yl-1H-indol-5-yl)methanone (CID 22727397) is [4-(2,5-dichlorothiophen-3-yl)piperazin-1-yl]-(3-thiophen-2-yl-1H-indol-5-yl)methanone.
What is the SMILES notation for [4-(2,5-dichlorothiophen-3-yl)piperazin-1-yl]-(3-thiophen-2-yl-1H-indol-5-yl)methanone?
The canonical SMILES for [4-(2,5-dichlorothiophen-3-yl)piperazin-1-yl]-(3-thiophen-2-yl-1H-indol-5-yl)methanone is O=C(c1ccc2[nH]cc(-c3cccs3)c2c1)N1CCN(c2cc(Cl)sc2Cl)CC1.
What is the InChIKey of [4-(2,5-dichlorothiophen-3-yl)piperazin-1-yl]-(3-thiophen-2-yl-1H-indol-5-yl)methanone?
The InChIKey is DQFZWKKMWJSBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2N3OS2/c22-19-11-17(20(23)29-19)25-5-7-26(8-6-25)21(27)13-3-4-16-14(10-13)15(12-24-16)18-2-1-9-28-18/h1-4,9-12,24H,5-8H2.
What are the key properties of [4-(2,5-dichlorothiophen-3-yl)piperazin-1-yl]-(3-thiophen-2-yl-1H-indol-5-yl)methanone?
[4-(2,5-dichlorothiophen-3-yl)piperazin-1-yl]-(3-thiophen-2-yl-1H-indol-5-yl)methanone has a molecular weight of 462.43 g/mol, XLogP of 6.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dichlorothiophen-3-yl)piperazin-1-yl]-(3-thiophen-2-yl-1H-indol-5-yl)methanone is sourced from PubChem (CID 22727397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).