1-(7-methyl-2,3-dihydroindol-1-yl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone

C20H24N2O3S2 — CID 112835729

IUPAC1-(7-methyl-2,3-dihydroindol-1-yl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone
SMILESCc1cccc2c1N(C(=O)Cc1ccc(S(=O)(=O)N3CCCCC3)s1)CC2
InChIInChI=1S/C20H24N2O3S2/c1-15-6-5-7-16-10-13-22(20(15)16)18(23)14-17-8-9-19(26-17)27(24,25)21-11-3-2-4-12-21/h5-9H,2-4,10-14H2,1H3
InChIKeyRAEZDJGSNVZLLY-UHFFFAOYSA-N
MW404.56 g/mol
LogP3.36
Rot. Bonds4

About 1-(7-methyl-2,3-dihydroindol-1-yl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone

1-(7-methyl-2,3-dihydroindol-1-yl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone (PubChem CID 112835729) has the molecular formula C20H24N2O3S2 and a molecular weight of 404.56 g/mol. Its IUPAC name is 1-(7-methyl-2,3-dihydroindol-1-yl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name1-(7-methyl-2,3-dihydroindol-1-yl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone
PubChem CID112835729
Molecular FormulaC20H24N2O3S2
Molecular Weight404.56 g/mol
Exact Mass404.12
IUPAC Name1-(7-methyl-2,3-dihydroindol-1-yl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone
SMILESCc1cccc2c1N(C(=O)Cc1ccc(S(=O)(=O)N3CCCCC3)s1)CC2
InChIInChI=1S/C20H24N2O3S2/c1-15-6-5-7-16-10-13-22(20(15)16)18(23)14-17-8-9-19(26-17)27(24,25)21-11-3-2-4-12-21/h5-9H,2-4,10-14H2,1H3
InChIKeyRAEZDJGSNVZLLY-UHFFFAOYSA-N
XLogP3.36
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(7-methyl-2,3-dihydroindol-1-yl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone with MolForge

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Related Compounds

2-[5-(azepan-1-ylsulfonyl)thiophen-2-yl]-1-piperidin-1-ylethanone
CID 53067970
1-[4-(methylaminomethyl)piperidin-1-yl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone
CID 119545474
1-(7-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 23566601
N-(3-chloro-2-methylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 35535192
1-(4-aminopiperidin-1-yl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone
CID 119375493
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone
CID 119650907
1-(4-benzylpiperazin-1-yl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone
CID 34347338
phenyl 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate
CID 8765493
N-(2-amino-2-methylpropyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 119627872
1-(2-ethylpiperidin-1-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanone
CID 112760227
1-(3-methylpiperazin-1-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanone
CID 119578248
1-(2,3-dimethylpiperazin-1-yl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone
CID 120571795

Frequently Asked Questions

What is the IUPAC name of 1-(7-methyl-2,3-dihydroindol-1-yl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone?
The IUPAC name of 1-(7-methyl-2,3-dihydroindol-1-yl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone (CID 112835729) is 1-(7-methyl-2,3-dihydroindol-1-yl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone.
What is the SMILES notation for 1-(7-methyl-2,3-dihydroindol-1-yl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone?
The canonical SMILES for 1-(7-methyl-2,3-dihydroindol-1-yl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone is Cc1cccc2c1N(C(=O)Cc1ccc(S(=O)(=O)N3CCCCC3)s1)CC2.
What is the InChIKey of 1-(7-methyl-2,3-dihydroindol-1-yl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone?
The InChIKey is RAEZDJGSNVZLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S2/c1-15-6-5-7-16-10-13-22(20(15)16)18(23)14-17-8-9-19(26-17)27(24,25)21-11-3-2-4-12-21/h5-9H,2-4,10-14H2,1H3.
What are the key properties of 1-(7-methyl-2,3-dihydroindol-1-yl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone?
1-(7-methyl-2,3-dihydroindol-1-yl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone has a molecular weight of 404.56 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methyl-2,3-dihydroindol-1-yl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone is sourced from PubChem (CID 112835729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).