2-[5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]-1-piperidin-1-ylethanone

C20H24N2O3S2 — CID 53067992

IUPAC2-[5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]-1-piperidin-1-ylethanone
SMILESCC1Cc2ccccc2N1S(=O)(=O)c1ccc(CC(=O)N2CCCCC2)s1
InChIInChI=1S/C20H24N2O3S2/c1-15-13-16-7-3-4-8-18(16)22(15)27(24,25)20-10-9-17(26-20)14-19(23)21-11-5-2-6-12-21/h3-4,7-10,15H,2,5-6,11-14H2,1H3
InChIKeyXILMOTHKOKEKOE-UHFFFAOYSA-N
MW404.56 g/mol
LogP3.44
Rot. Bonds4

About 2-[5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]-1-piperidin-1-ylethanone

2-[5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]-1-piperidin-1-ylethanone (PubChem CID 53067992) has the molecular formula C20H24N2O3S2 and a molecular weight of 404.56 g/mol. Its IUPAC name is 2-[5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]-1-piperidin-1-ylethanone
PubChem CID53067992
Molecular FormulaC20H24N2O3S2
Molecular Weight404.56 g/mol
Exact Mass404.12
IUPAC Name2-[5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]-1-piperidin-1-ylethanone
SMILESCC1Cc2ccccc2N1S(=O)(=O)c1ccc(CC(=O)N2CCCCC2)s1
InChIInChI=1S/C20H24N2O3S2/c1-15-13-16-7-3-4-8-18(16)22(15)27(24,25)20-10-9-17(26-20)14-19(23)21-11-5-2-6-12-21/h3-4,7-10,15H,2,5-6,11-14H2,1H3
InChIKeyXILMOTHKOKEKOE-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]-1-piperidin-1-ylethanone with MolForge

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Related Compounds

2-[5-(azepan-1-ylsulfonyl)thiophen-2-yl]-1-piperidin-1-ylethanone
CID 53067970
azocan-1-yl-[3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanone
CID 55332107
5-[2-(azocan-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
CID 60759039
1-(4-aminopiperidin-1-yl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone
CID 119375493
5-[5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]-1,2-oxazole
CID 53112003
2-methyl-1-thiophen-2-ylsulfonyl-2,3-dihydroindole
CID 2943362
1-[4-(methylaminomethyl)piperidin-1-yl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone
CID 119545474
1-(4-benzylpiperazin-1-yl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone
CID 34347338
2-[5-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1-pyrrolidin-1-ylethanone
CID 53067924
2-[5-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1-piperidin-1-ylethanone
CID 53067977
1-(3-methylpiperazin-1-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanone
CID 119578248
1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone
CID 55330438

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]-1-piperidin-1-ylethanone (CID 53067992) is 2-[5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]-1-piperidin-1-ylethanone is CC1Cc2ccccc2N1S(=O)(=O)c1ccc(CC(=O)N2CCCCC2)s1.
What is the InChIKey of 2-[5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]-1-piperidin-1-ylethanone?
The InChIKey is XILMOTHKOKEKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S2/c1-15-13-16-7-3-4-8-18(16)22(15)27(24,25)20-10-9-17(26-20)14-19(23)21-11-5-2-6-12-21/h3-4,7-10,15H,2,5-6,11-14H2,1H3.
What are the key properties of 2-[5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]-1-piperidin-1-ylethanone?
2-[5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]-1-piperidin-1-ylethanone has a molecular weight of 404.56 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 53067992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).