(2S)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide

C23H29N3O4S — CID 97184970

IUPAC(2S)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide
SMILESO=C(NCCS(=O)(=O)N1CCc2ccccc21)[C@H](c1ccccc1)N1CCC(O)CC1
InChIInChI=1S/C23H29N3O4S/c27-20-11-14-25(15-12-20)22(19-7-2-1-3-8-19)23(28)24-13-17-31(29,30)26-16-10-18-6-4-5-9-21(18)26/h1-9,20,22,27H,10-17H2,(H,24,28)/t22-/m0/s1
InChIKeyFWNXBCOPSLSZKY-QFIPXVFZSA-N
MW443.57 g/mol
LogP1.69
Rot. Bonds7

About (2S)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide

(2S)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide (PubChem CID 97184970) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is (2S)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide
PubChem CID97184970
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC Name(2S)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide
SMILESO=C(NCCS(=O)(=O)N1CCc2ccccc21)[C@H](c1ccccc1)N1CCC(O)CC1
InChIInChI=1S/C23H29N3O4S/c27-20-11-14-25(15-12-20)22(19-7-2-1-3-8-19)23(28)24-13-17-31(29,30)26-16-10-18-6-4-5-9-21(18)26/h1-9,20,22,27H,10-17H2,(H,24,28)/t22-/m0/s1
InChIKeyFWNXBCOPSLSZKY-QFIPXVFZSA-N
XLogP1.69
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]propanamide
CID 124831156
(2R)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 51943603
(2R)-1-(2,3-dihydroindol-1-yl)-2-(4-hydroxypiperidin-1-yl)-2-phenylethanone
CID 124605958
1-(2,6-diethylphenyl)-3-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]urea
CID 55696623
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(1-phenylethyl)propanamide
CID 110343046
N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]octanamide
CID 55662696
(2S)-2-(benzimidazol-1-yl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]propanamide
CID 39315966
N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-N'-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide
CID 109444231
N-[1-[2-(2,3-dihydroindol-1-ylsulfonyl)ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide
CID 55685369
1-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-3-[(2-ethylphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111635607
2-(4-chlorophenyl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-methylpropanamide
CID 55873198
N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide?
The IUPAC name of (2S)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide (CID 97184970) is (2S)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide.
What is the SMILES notation for (2S)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide?
The canonical SMILES for (2S)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide is O=C(NCCS(=O)(=O)N1CCc2ccccc21)[C@H](c1ccccc1)N1CCC(O)CC1.
What is the InChIKey of (2S)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide?
The InChIKey is FWNXBCOPSLSZKY-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H29N3O4S/c27-20-11-14-25(15-12-20)22(19-7-2-1-3-8-19)23(28)24-13-17-31(29,30)26-16-10-18-6-4-5-9-21(18)26/h1-9,20,22,27H,10-17H2,(H,24,28)/t22-/m0/s1.
What are the key properties of (2S)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide?
(2S)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide has a molecular weight of 443.57 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide is sourced from PubChem (CID 97184970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).