3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one

C22H25N3O6S — CID 3239861

IUPAC3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
SMILESCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)N3CCN(C(=O)c4ccco4)CC3)ccc21
InChIInChI=1S/C22H25N3O6S/c1-16(26)25-8-6-17-15-18(4-5-19(17)25)32(29,30)14-7-21(27)23-9-11-24(12-10-23)22(28)20-3-2-13-31-20/h2-5,13,15H,6-12,14H2,1H3
InChIKeyJDBUMMXRGNSSDY-UHFFFAOYSA-N
MW459.52 g/mol
LogP1.34
Rot. Bonds5

About 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one

3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one (PubChem CID 3239861) has the molecular formula C22H25N3O6S and a molecular weight of 459.52 g/mol. Its IUPAC name is 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
PubChem CID3239861
Molecular FormulaC22H25N3O6S
Molecular Weight459.52 g/mol
Exact Mass459.15
IUPAC Name3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
SMILESCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)N3CCN(C(=O)c4ccco4)CC3)ccc21
InChIInChI=1S/C22H25N3O6S/c1-16(26)25-8-6-17-15-18(4-5-19(17)25)32(29,30)14-7-21(27)23-9-11-24(12-10-23)22(28)20-3-2-13-31-20/h2-5,13,15H,6-12,14H2,1H3
InChIKeyJDBUMMXRGNSSDY-UHFFFAOYSA-N
XLogP1.34
TPSA108.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.52
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one (CID 3239861) is 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one is CC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)N3CCN(C(=O)c4ccco4)CC3)ccc21.
What is the InChIKey of 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one?
The InChIKey is JDBUMMXRGNSSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O6S/c1-16(26)25-8-6-17-15-18(4-5-19(17)25)32(29,30)14-7-21(27)23-9-11-24(12-10-23)22(28)20-3-2-13-31-20/h2-5,13,15H,6-12,14H2,1H3.
What are the key properties of 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one?
3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one has a molecular weight of 459.52 g/mol, XLogP of 1.34, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 3239861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).