1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylanilino)ethanone

C27H36N4O3S — CID 25390599

IUPAC1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylanilino)ethanone
SMILESC[C@H]1Cc2ccccc2N1C(=O)CNc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCCC1
InChIInChI=1S/C27H36N4O3S/c1-21-18-22-10-4-5-11-25(22)31(21)27(32)20-28-24-19-23(35(33,34)30-16-8-3-9-17-30)12-13-26(24)29-14-6-2-7-15-29/h4-5,10-13,19,21,28H,2-3,6-9,14-18,20H2,1H3/t21-/m0/s1
InChIKeySOQDHNHDWXRMHM-NRFANRHFSA-N
MW496.68 g/mol
LogP4.24
Rot. Bonds6

About 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylanilino)ethanone

1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylanilino)ethanone (PubChem CID 25390599) has the molecular formula C27H36N4O3S and a molecular weight of 496.68 g/mol. Its IUPAC name is 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylanilino)ethanone.

Molecular Properties

Compound Name1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylanilino)ethanone
PubChem CID25390599
Molecular FormulaC27H36N4O3S
Molecular Weight496.68 g/mol
Exact Mass496.25
IUPAC Name1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylanilino)ethanone
SMILESC[C@H]1Cc2ccccc2N1C(=O)CNc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCCC1
InChIInChI=1S/C27H36N4O3S/c1-21-18-22-10-4-5-11-25(22)31(21)27(32)20-28-24-19-23(35(33,34)30-16-8-3-9-17-30)12-13-26(24)29-14-6-2-7-15-29/h4-5,10-13,19,21,28H,2-3,6-9,14-18,20H2,1H3/t21-/m0/s1
InChIKeySOQDHNHDWXRMHM-NRFANRHFSA-N
XLogP4.24
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.68
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 40797160
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(3-pyrrolidin-1-ylsulfonylanilino)ethanone
CID 4884596
3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 133199873
2-(5-chloro-2-morpholin-4-ylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 7778266
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4-(azepan-1-ylsulfonyl)benzoate
CID 4803148
(2-methyl-2,3-dihydroindol-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 3449994
1-morpholin-4-yl-2-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylanilino)ethanone
CID 55346848
2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 5221069
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)ethanone
CID 55345468
2-(3-chloro-2-methylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 9099236
2-(2,4-dimethylanilino)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 9081007
2-(2,5-dimethylanilino)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 9079616

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylanilino)ethanone?
The IUPAC name of 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylanilino)ethanone (CID 25390599) is 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylanilino)ethanone.
What is the SMILES notation for 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylanilino)ethanone?
The canonical SMILES for 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylanilino)ethanone is C[C@H]1Cc2ccccc2N1C(=O)CNc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCCC1.
What is the InChIKey of 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylanilino)ethanone?
The InChIKey is SOQDHNHDWXRMHM-NRFANRHFSA-N. The full InChI is InChI=1S/C27H36N4O3S/c1-21-18-22-10-4-5-11-25(22)31(21)27(32)20-28-24-19-23(35(33,34)30-16-8-3-9-17-30)12-13-26(24)29-14-6-2-7-15-29/h4-5,10-13,19,21,28H,2-3,6-9,14-18,20H2,1H3/t21-/m0/s1.
What are the key properties of 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylanilino)ethanone?
1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylanilino)ethanone has a molecular weight of 496.68 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylanilino)ethanone is sourced from PubChem (CID 25390599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).