(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone

C24H29N3O4S2 — CID 55556405

IUPAC(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
SMILESO=C(c1cccs1)N1CCCC(C(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)C1
InChIInChI=1S/C24H29N3O4S2/c28-23(19-6-4-11-25(17-19)24(29)22-7-5-15-32-22)27-14-10-18-16-20(8-9-21(18)27)33(30,31)26-12-2-1-3-13-26/h5,7-9,15-16,19H,1-4,6,10-14,17H2
InChIKeyRPHSJVNLSJOQPZ-UHFFFAOYSA-N
MW487.65 g/mol
LogP3.36
Rot. Bonds4

About (5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone

(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone (PubChem CID 55556405) has the molecular formula C24H29N3O4S2 and a molecular weight of 487.65 g/mol. Its IUPAC name is (5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
PubChem CID55556405
Molecular FormulaC24H29N3O4S2
Molecular Weight487.65 g/mol
Exact Mass487.16
IUPAC Name(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
SMILESO=C(c1cccs1)N1CCCC(C(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)C1
InChIInChI=1S/C24H29N3O4S2/c28-23(19-6-4-11-25(17-19)24(29)22-7-5-15-32-22)27-14-10-18-16-20(8-9-21(18)27)33(30,31)26-12-2-1-3-13-26/h5,7-9,15-16,19H,1-4,6,10-14,17H2
InChIKeyRPHSJVNLSJOQPZ-UHFFFAOYSA-N
XLogP3.36
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.65
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone with MolForge

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Related Compounds

N-methyl-N-[2-oxo-2-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethyl]thiophene-2-carboxamide
CID 55607363
N-[3-methyl-1-oxo-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)butan-2-yl]thiophene-2-carboxamide
CID 55438878
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone
CID 34410005
3,4-dihydro-2H-1,5-benzothiazepin-5-yl-[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
CID 30788085
3,4-dihydro-2H-1,5-benzothiazepin-5-yl-[(3R)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
CID 30788083
[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
CID 39977467
[5-(4-aminopiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone
CID 71079564
(3R)-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 858666
furan-2-yl-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
CID 17416161
[(3R)-1-(benzenesulfonyl)piperidin-3-yl]-(2,3-dihydroindol-1-yl)methanone
CID 39894254
1-[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 133168267
N,N-dimethyl-1-[(3R)-1-methylsulfonylpiperidine-3-carbonyl]-2,3-dihydroindole-5-sulfonamide
CID 95118968

Frequently Asked Questions

What is the IUPAC name of (5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone?
The IUPAC name of (5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone (CID 55556405) is (5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone.
What is the SMILES notation for (5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone?
The canonical SMILES for (5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone is O=C(c1cccs1)N1CCCC(C(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)C1.
What is the InChIKey of (5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone?
The InChIKey is RPHSJVNLSJOQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4S2/c28-23(19-6-4-11-25(17-19)24(29)22-7-5-15-32-22)27-14-10-18-16-20(8-9-21(18)27)33(30,31)26-12-2-1-3-13-26/h5,7-9,15-16,19H,1-4,6,10-14,17H2.
What are the key properties of (5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone?
(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone has a molecular weight of 487.65 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone is sourced from PubChem (CID 55556405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).