2-[1-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]piperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide

C22H27N3O4S2 — CID 53124741

IUPAC2-[1-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]piperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)N3CCC(CC(=O)NCc4cccs4)CC3)ccc21
InChIInChI=1S/C22H27N3O4S2/c1-16(26)25-11-8-18-14-20(4-5-21(18)25)31(28,29)24-9-6-17(7-10-24)13-22(27)23-15-19-3-2-12-30-19/h2-5,12,14,17H,6-11,13,15H2,1H3,(H,23,27)
InChIKeyWKJLIKXRGJJKMA-UHFFFAOYSA-N
MW461.61 g/mol
LogP2.76
Rot. Bonds6

About 2-[1-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]piperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide

2-[1-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]piperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 53124741) has the molecular formula C22H27N3O4S2 and a molecular weight of 461.61 g/mol. Its IUPAC name is 2-[1-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]piperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[1-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]piperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID53124741
Molecular FormulaC22H27N3O4S2
Molecular Weight461.61 g/mol
Exact Mass461.14
IUPAC Name2-[1-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]piperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)N3CCC(CC(=O)NCc4cccs4)CC3)ccc21
InChIInChI=1S/C22H27N3O4S2/c1-16(26)25-11-8-18-14-20(4-5-21(18)25)31(28,29)24-9-6-17(7-10-24)13-22(27)23-15-19-3-2-12-30-19/h2-5,12,14,17H,6-11,13,15H2,1H3,(H,23,27)
InChIKeyWKJLIKXRGJJKMA-UHFFFAOYSA-N
XLogP2.76
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.61
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]piperidin-4-yl]-N-(3-fluorophenyl)acetamide
CID 53124712
2-[1-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]piperidin-4-yl]-N-(3-chloro-4-methylphenyl)acetamide
CID 53124723
2-[1-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]piperidin-4-yl]-N,N-diethylacetamide
CID 53124750
1-[5-(4-benzylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 7436981
3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl]-N-(thiophen-2-ylmethyl)propanamide
CID 20950670
(3R)-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl]-N-(thiophen-2-ylmethyl)butanamide
CID 92708708
1-acetyl-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17400424
1-acetyl-N-cyclopropyl-N-(thiophen-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide
CID 55598121
1-acetyl-5-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)-2,3-dihydroindole-2-carboxamide
CID 20956655
4-(1-acetyl-2,3-dihydroindol-5-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 53109956
1-[5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 3647350
1-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2,3-dihydroindol-1-yl]ethanone
CID 3238875

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]piperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[1-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]piperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide (CID 53124741) is 2-[1-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]piperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[1-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]piperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[1-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]piperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide is CC(=O)N1CCc2cc(S(=O)(=O)N3CCC(CC(=O)NCc4cccs4)CC3)ccc21.
What is the InChIKey of 2-[1-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]piperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is WKJLIKXRGJJKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4S2/c1-16(26)25-11-8-18-14-20(4-5-21(18)25)31(28,29)24-9-6-17(7-10-24)13-22(27)23-15-19-3-2-12-30-19/h2-5,12,14,17H,6-11,13,15H2,1H3,(H,23,27).
What are the key properties of 2-[1-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]piperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide?
2-[1-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]piperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 461.61 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]piperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 53124741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).