cyclopropyl-[5-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]methanone

C21H23N3O5S — CID 3238826

IUPACcyclopropyl-[5-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]methanone
SMILESO=C(c1ccco1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)CC1
InChIInChI=1S/C21H23N3O5S/c25-20(15-3-4-15)24-8-7-16-14-17(5-6-18(16)24)30(27,28)23-11-9-22(10-12-23)21(26)19-2-1-13-29-19/h1-2,5-6,13-15H,3-4,7-12H2
InChIKeyZEFCXZTZKGTZAE-UHFFFAOYSA-N
MW429.50 g/mol
LogP1.73
Rot. Bonds4

About cyclopropyl-[5-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]methanone

cyclopropyl-[5-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]methanone (PubChem CID 3238826) has the molecular formula C21H23N3O5S and a molecular weight of 429.50 g/mol. Its IUPAC name is cyclopropyl-[5-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[5-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]methanone
PubChem CID3238826
Molecular FormulaC21H23N3O5S
Molecular Weight429.50 g/mol
Exact Mass429.14
IUPAC Namecyclopropyl-[5-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]methanone
SMILESO=C(c1ccco1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)CC1
InChIInChI=1S/C21H23N3O5S/c25-20(15-3-4-15)24-8-7-16-14-17(5-6-18(16)24)30(27,28)23-11-9-22(10-12-23)21(26)19-2-1-13-29-19/h1-2,5-6,13-15H,3-4,7-12H2
InChIKeyZEFCXZTZKGTZAE-UHFFFAOYSA-N
XLogP1.73
TPSA91.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[5-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]methanone?
The IUPAC name of cyclopropyl-[5-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]methanone (CID 3238826) is cyclopropyl-[5-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[5-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]methanone?
The canonical SMILES for cyclopropyl-[5-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]methanone is O=C(c1ccco1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)CC1.
What is the InChIKey of cyclopropyl-[5-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]methanone?
The InChIKey is ZEFCXZTZKGTZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5S/c25-20(15-3-4-15)24-8-7-16-14-17(5-6-18(16)24)30(27,28)23-11-9-22(10-12-23)21(26)19-2-1-13-29-19/h1-2,5-6,13-15H,3-4,7-12H2.
What are the key properties of cyclopropyl-[5-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]methanone?
cyclopropyl-[5-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]methanone has a molecular weight of 429.50 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[5-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]methanone is sourced from PubChem (CID 3238826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).