2-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-1-(1H-indol-3-yl)ethanone

C20H23N3O3S2 — CID 110659791

IUPAC2-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-1-(1H-indol-3-yl)ethanone
SMILESCCc1ccc(S(=O)(=O)N2CCN(CC(=O)c3c[nH]c4ccccc34)CC2)s1
InChIInChI=1S/C20H23N3O3S2/c1-2-15-7-8-20(27-15)28(25,26)23-11-9-22(10-12-23)14-19(24)17-13-21-18-6-4-3-5-16(17)18/h3-8,13,21H,2,9-12,14H2,1H3
InChIKeyOKYVUHYRXJNTAK-UHFFFAOYSA-N
MW417.56 g/mol
LogP2.98
Rot. Bonds6

About 2-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-1-(1H-indol-3-yl)ethanone

2-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-1-(1H-indol-3-yl)ethanone (PubChem CID 110659791) has the molecular formula C20H23N3O3S2 and a molecular weight of 417.56 g/mol. Its IUPAC name is 2-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-1-(1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-1-(1H-indol-3-yl)ethanone
PubChem CID110659791
Molecular FormulaC20H23N3O3S2
Molecular Weight417.56 g/mol
Exact Mass417.12
IUPAC Name2-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-1-(1H-indol-3-yl)ethanone
SMILESCCc1ccc(S(=O)(=O)N2CCN(CC(=O)c3c[nH]c4ccccc34)CC2)s1
InChIInChI=1S/C20H23N3O3S2/c1-2-15-7-8-20(27-15)28(25,26)23-11-9-22(10-12-23)14-19(24)17-13-21-18-6-4-3-5-16(17)18/h3-8,13,21H,2,9-12,14H2,1H3
InChIKeyOKYVUHYRXJNTAK-UHFFFAOYSA-N
XLogP2.98
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.56
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1H-indol-3-yl)-2-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 31872453
2-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-1-(4-fluorophenyl)ethanone
CID 110359006
2-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-1-(1H-indol-3-yl)ethanone
CID 110659793
2-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-1-(1H-indol-3-yl)ethanone
CID 110659782
1-(1H-indol-3-yl)-2-pyrrolidin-1-ylethanone
CID 913151
1-(1H-indol-3-yl)-2-[4-[(4-methylphenyl)methylsulfonyl]piperazin-1-yl]ethanone
CID 110659796
1-(1-tert-butyl-2,5-dimethylpyrrol-3-yl)-2-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]ethanone
CID 110659018
3-[1-(5-ethylthiophen-2-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
CID 113086693
1-benzyl-4-(5-ethylthiophen-2-yl)sulfonylpiperazine
CID 113073930
1-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-phenylethanone
CID 110364906
4-[2-(1H-indol-3-yl)-2-oxoethyl]-1-methylpiperazin-2-one
CID 64695940
2-(3,4-dimethylpiperazin-1-yl)-1-(1H-indol-3-yl)ethanone
CID 63608717

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-1-(1H-indol-3-yl)ethanone?
The IUPAC name of 2-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-1-(1H-indol-3-yl)ethanone (CID 110659791) is 2-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-1-(1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-1-(1H-indol-3-yl)ethanone?
The canonical SMILES for 2-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-1-(1H-indol-3-yl)ethanone is CCc1ccc(S(=O)(=O)N2CCN(CC(=O)c3c[nH]c4ccccc34)CC2)s1.
What is the InChIKey of 2-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-1-(1H-indol-3-yl)ethanone?
The InChIKey is OKYVUHYRXJNTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S2/c1-2-15-7-8-20(27-15)28(25,26)23-11-9-22(10-12-23)14-19(24)17-13-21-18-6-4-3-5-16(17)18/h3-8,13,21H,2,9-12,14H2,1H3.
What are the key properties of 2-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-1-(1H-indol-3-yl)ethanone?
2-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-1-(1H-indol-3-yl)ethanone has a molecular weight of 417.56 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-1-(1H-indol-3-yl)ethanone is sourced from PubChem (CID 110659791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).