3-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(furan-2-ylmethyl)propanamide

C19H21BrN2O5S — CID 3236073

IUPAC3-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(furan-2-ylmethyl)propanamide
SMILESCCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)CCC(=O)NCc3ccco3)c21
InChIInChI=1S/C19H21BrN2O5S/c1-2-18(24)22-7-5-13-10-14(20)11-16(19(13)22)28(25,26)9-6-17(23)21-12-15-4-3-8-27-15/h3-4,8,10-11H,2,5-7,9,12H2,1H3,(H,21,23)
InChIKeyGRGBYFPOPYQEJG-UHFFFAOYSA-N
MW469.36 g/mol
LogP2.82
Rot. Bonds7

About 3-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(furan-2-ylmethyl)propanamide

3-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(furan-2-ylmethyl)propanamide (PubChem CID 3236073) has the molecular formula C19H21BrN2O5S and a molecular weight of 469.36 g/mol. Its IUPAC name is 3-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(furan-2-ylmethyl)propanamide
PubChem CID3236073
Molecular FormulaC19H21BrN2O5S
Molecular Weight469.36 g/mol
Exact Mass468.04
IUPAC Name3-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(furan-2-ylmethyl)propanamide
SMILESCCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)CCC(=O)NCc3ccco3)c21
InChIInChI=1S/C19H21BrN2O5S/c1-2-18(24)22-7-5-13-10-14(20)11-16(19(13)22)28(25,26)9-6-17(23)21-12-15-4-3-8-27-15/h3-4,8,10-11H,2,5-7,9,12H2,1H3,(H,21,23)
InChIKeyGRGBYFPOPYQEJG-UHFFFAOYSA-N
XLogP2.82
TPSA96.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of 3-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(furan-2-ylmethyl)propanamide (CID 3236073) is 3-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for 3-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(furan-2-ylmethyl)propanamide is CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)CCC(=O)NCc3ccco3)c21.
What is the InChIKey of 3-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(furan-2-ylmethyl)propanamide?
The InChIKey is GRGBYFPOPYQEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O5S/c1-2-18(24)22-7-5-13-10-14(20)11-16(19(13)22)28(25,26)9-6-17(23)21-12-15-4-3-8-27-15/h3-4,8,10-11H,2,5-7,9,12H2,1H3,(H,21,23).
What are the key properties of 3-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(furan-2-ylmethyl)propanamide?
3-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(furan-2-ylmethyl)propanamide has a molecular weight of 469.36 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 3236073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).