[1-[2-(2-chlorophenoxy)ethyl]indol-3-yl]-thiophen-2-ylmethanone

C21H16ClNO2S — CID 1292806

IUPAC[1-[2-(2-chlorophenoxy)ethyl]indol-3-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)c1cn(CCOc2ccccc2Cl)c2ccccc12
InChIInChI=1S/C21H16ClNO2S/c22-17-7-2-4-9-19(17)25-12-11-23-14-16(15-6-1-3-8-18(15)23)21(24)20-10-5-13-26-20/h1-10,13-14H,11-12H2
InChIKeyGYAJWLBCAFVHPX-UHFFFAOYSA-N
MW381.88 g/mol
LogP5.67
Rot. Bonds6

About [1-[2-(2-chlorophenoxy)ethyl]indol-3-yl]-thiophen-2-ylmethanone

[1-[2-(2-chlorophenoxy)ethyl]indol-3-yl]-thiophen-2-ylmethanone (PubChem CID 1292806) has the molecular formula C21H16ClNO2S and a molecular weight of 381.88 g/mol. Its IUPAC name is [1-[2-(2-chlorophenoxy)ethyl]indol-3-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[1-[2-(2-chlorophenoxy)ethyl]indol-3-yl]-thiophen-2-ylmethanone
PubChem CID1292806
Molecular FormulaC21H16ClNO2S
Molecular Weight381.88 g/mol
Exact Mass381.06
IUPAC Name[1-[2-(2-chlorophenoxy)ethyl]indol-3-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)c1cn(CCOc2ccccc2Cl)c2ccccc12
InChIInChI=1S/C21H16ClNO2S/c22-17-7-2-4-9-19(17)25-12-11-23-14-16(15-6-1-3-8-18(15)23)21(24)20-10-5-13-26-20/h1-10,13-14H,11-12H2
InChIKeyGYAJWLBCAFVHPX-UHFFFAOYSA-N
XLogP5.67
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.88
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-phenoxyethyl)indol-3-yl]-thiophen-2-ylmethanone
CID 965825
3-[1-[2-(2-chlorophenoxy)ethyl]indole-3-carbonyl]-N-methylbenzamide
CID 146154131
N-(3,5-dichlorophenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide
CID 4027629
4-(2-chlorophenoxy)-1-thiophen-2-ylbutan-1-one
CID 62030266
1-[2-(2-chlorophenoxy)ethyl]-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]indole-3-carboxamide
CID 166181594
N-cyclopropyl-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide
CID 2974463
2-(2-chlorophenoxy)-1-(1-ethylindol-3-yl)ethanone
CID 21380764
3-[1-[2-(2-chlorophenoxy)ethyl]indol-3-yl]propan-1-amine
CID 170868081
N-(4-methylphenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide
CID 5043393
N-(2-phenylethyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide
CID 1298670
1-[1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]propan-1-one
CID 955241
2-[1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]-2-oxoacetamide
CID 3161660

Frequently Asked Questions

What is the IUPAC name of [1-[2-(2-chlorophenoxy)ethyl]indol-3-yl]-thiophen-2-ylmethanone?
The IUPAC name of [1-[2-(2-chlorophenoxy)ethyl]indol-3-yl]-thiophen-2-ylmethanone (CID 1292806) is [1-[2-(2-chlorophenoxy)ethyl]indol-3-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [1-[2-(2-chlorophenoxy)ethyl]indol-3-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [1-[2-(2-chlorophenoxy)ethyl]indol-3-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)c1cn(CCOc2ccccc2Cl)c2ccccc12.
What is the InChIKey of [1-[2-(2-chlorophenoxy)ethyl]indol-3-yl]-thiophen-2-ylmethanone?
The InChIKey is GYAJWLBCAFVHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClNO2S/c22-17-7-2-4-9-19(17)25-12-11-23-14-16(15-6-1-3-8-18(15)23)21(24)20-10-5-13-26-20/h1-10,13-14H,11-12H2.
What are the key properties of [1-[2-(2-chlorophenoxy)ethyl]indol-3-yl]-thiophen-2-ylmethanone?
[1-[2-(2-chlorophenoxy)ethyl]indol-3-yl]-thiophen-2-ylmethanone has a molecular weight of 381.88 g/mol, XLogP of 5.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2-chlorophenoxy)ethyl]indol-3-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 1292806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).