N-(furan-2-ylmethyl)-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide

C21H20N2O4S — CID 4826821

IUPACN-(furan-2-ylmethyl)-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide
SMILESCC1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)NCc2ccco2)c1
InChIInChI=1S/C21H20N2O4S/c1-15-12-16-6-2-3-10-20(16)23(15)28(25,26)19-9-4-7-17(13-19)21(24)22-14-18-8-5-11-27-18/h2-11,13,15H,12,14H2,1H3,(H,22,24)
InChIKeyBWNHBTKXSAFZQM-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.35
Rot. Bonds5

About N-(furan-2-ylmethyl)-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide

N-(furan-2-ylmethyl)-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide (PubChem CID 4826821) has the molecular formula C21H20N2O4S and a molecular weight of 396.47 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide
PubChem CID4826821
Molecular FormulaC21H20N2O4S
Molecular Weight396.47 g/mol
Exact Mass396.11
IUPAC NameN-(furan-2-ylmethyl)-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide
SMILESCC1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)NCc2ccco2)c1
InChIInChI=1S/C21H20N2O4S/c1-15-12-16-6-2-3-10-20(16)23(15)28(25,26)19-9-4-7-17(13-19)21(24)22-14-18-8-5-11-27-18/h2-11,13,15H,12,14H2,1H3,(H,22,24)
InChIKeyBWNHBTKXSAFZQM-UHFFFAOYSA-N
XLogP3.35
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide (CID 4826821) is N-(furan-2-ylmethyl)-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide is CC1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)NCc2ccco2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide?
The InChIKey is BWNHBTKXSAFZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4S/c1-15-12-16-6-2-3-10-20(16)23(15)28(25,26)19-9-4-7-17(13-19)21(24)22-14-18-8-5-11-27-18/h2-11,13,15H,12,14H2,1H3,(H,22,24).
What are the key properties of N-(furan-2-ylmethyl)-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide?
N-(furan-2-ylmethyl)-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide has a molecular weight of 396.47 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide is sourced from PubChem (CID 4826821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).