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

C23H26FN3O4S — CID 53124712

IUPAC2-[1-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]piperidin-4-yl]-N-(3-fluorophenyl)acetamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)N3CCC(CC(=O)Nc4cccc(F)c4)CC3)ccc21
InChIInChI=1S/C23H26FN3O4S/c1-16(28)27-12-9-18-14-21(5-6-22(18)27)32(30,31)26-10-7-17(8-11-26)13-23(29)25-20-4-2-3-19(24)15-20/h2-6,14-15,17H,7-13H2,1H3,(H,25,29)
InChIKeyROVLAFBOIIHUAO-UHFFFAOYSA-N
MW459.54 g/mol
LogP3.16
Rot. Bonds5

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

2-[1-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]piperidin-4-yl]-N-(3-fluorophenyl)acetamide (PubChem CID 53124712) has the molecular formula C23H26FN3O4S and a molecular weight of 459.54 g/mol. Its IUPAC name is 2-[1-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]piperidin-4-yl]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[1-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]piperidin-4-yl]-N-(3-fluorophenyl)acetamide
PubChem CID53124712
Molecular FormulaC23H26FN3O4S
Molecular Weight459.54 g/mol
Exact Mass459.16
IUPAC Name2-[1-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]piperidin-4-yl]-N-(3-fluorophenyl)acetamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)N3CCC(CC(=O)Nc4cccc(F)c4)CC3)ccc21
InChIInChI=1S/C23H26FN3O4S/c1-16(28)27-12-9-18-14-21(5-6-22(18)27)32(30,31)26-10-7-17(8-11-26)13-23(29)25-20-4-2-3-19(24)15-20/h2-6,14-15,17H,7-13H2,1H3,(H,25,29)
InChIKeyROVLAFBOIIHUAO-UHFFFAOYSA-N
XLogP3.16
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.54
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-(thiophen-2-ylmethyl)acetamide
CID 53124741
3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(3-fluorophenyl)propanamide
CID 20855778
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
1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2,4-difluorophenyl)piperidine-4-carboxamide
CID 46361676
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[4-(azepan-1-ylsulfonyl)anilino]acetamide
CID 24510831
3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(3-methylphenyl)propanamide
CID 15997795
1-[5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 3647350
N-[3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]phenyl]acetamide
CID 40687880
3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(3-chlorophenyl)propanamide
CID 20853373
1-[4-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]piperazin-1-yl]propan-2-one
CID 110665636

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]piperidin-4-yl]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[1-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]piperidin-4-yl]-N-(3-fluorophenyl)acetamide (CID 53124712) is 2-[1-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]piperidin-4-yl]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[1-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]piperidin-4-yl]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[1-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]piperidin-4-yl]-N-(3-fluorophenyl)acetamide is CC(=O)N1CCc2cc(S(=O)(=O)N3CCC(CC(=O)Nc4cccc(F)c4)CC3)ccc21.
What is the InChIKey of 2-[1-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]piperidin-4-yl]-N-(3-fluorophenyl)acetamide?
The InChIKey is ROVLAFBOIIHUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O4S/c1-16(28)27-12-9-18-14-21(5-6-22(18)27)32(30,31)26-10-7-17(8-11-26)13-23(29)25-20-4-2-3-19(24)15-20/h2-6,14-15,17H,7-13H2,1H3,(H,25,29).
What are the key properties of 2-[1-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]piperidin-4-yl]-N-(3-fluorophenyl)acetamide?
2-[1-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]piperidin-4-yl]-N-(3-fluorophenyl)acetamide has a molecular weight of 459.54 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 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-(3-fluorophenyl)acetamide is sourced from PubChem (CID 53124712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).