N-(furan-2-ylmethyl)-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]benzamide

C24H25N3O5S — CID 20903316

IUPACN-(furan-2-ylmethyl)-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]benzamide
SMILESCN1C(=O)C(C)(C)c2cc(S(=O)(=O)NCc3ccc(C(=O)NCc4ccco4)cc3)ccc21
InChIInChI=1S/C24H25N3O5S/c1-24(2)20-13-19(10-11-21(20)27(3)23(24)29)33(30,31)26-14-16-6-8-17(9-7-16)22(28)25-15-18-5-4-12-32-18/h4-13,26H,14-15H2,1-3H3,(H,25,28)
InChIKeyIIQHEDZIRLPDAI-UHFFFAOYSA-N
MW467.55 g/mol
LogP2.94
Rot. Bonds7

About N-(furan-2-ylmethyl)-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]benzamide

N-(furan-2-ylmethyl)-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]benzamide (PubChem CID 20903316) has the molecular formula C24H25N3O5S and a molecular weight of 467.55 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]benzamide
PubChem CID20903316
Molecular FormulaC24H25N3O5S
Molecular Weight467.55 g/mol
Exact Mass467.15
IUPAC NameN-(furan-2-ylmethyl)-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]benzamide
SMILESCN1C(=O)C(C)(C)c2cc(S(=O)(=O)NCc3ccc(C(=O)NCc4ccco4)cc3)ccc21
InChIInChI=1S/C24H25N3O5S/c1-24(2)20-13-19(10-11-21(20)27(3)23(24)29)33(30,31)26-14-16-6-8-17(9-7-16)22(28)25-15-18-5-4-12-32-18/h4-13,26H,14-15H2,1-3H3,(H,25,28)
InChIKeyIIQHEDZIRLPDAI-UHFFFAOYSA-N
XLogP2.94
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]benzamide (CID 20903316) is N-(furan-2-ylmethyl)-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]benzamide is CN1C(=O)C(C)(C)c2cc(S(=O)(=O)NCc3ccc(C(=O)NCc4ccco4)cc3)ccc21.
What is the InChIKey of N-(furan-2-ylmethyl)-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]benzamide?
The InChIKey is IIQHEDZIRLPDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5S/c1-24(2)20-13-19(10-11-21(20)27(3)23(24)29)33(30,31)26-14-16-6-8-17(9-7-16)22(28)25-15-18-5-4-12-32-18/h4-13,26H,14-15H2,1-3H3,(H,25,28).
What are the key properties of N-(furan-2-ylmethyl)-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]benzamide?
N-(furan-2-ylmethyl)-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]benzamide has a molecular weight of 467.55 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]benzamide is sourced from PubChem (CID 20903316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).