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

C25H27N3O5S — CID 20903324

IUPACN-[(5-methylfuran-2-yl)methyl]-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]benzamide
SMILESCc1ccc(CNC(=O)c2ccc(CNS(=O)(=O)c3ccc4c(c3)C(C)(C)C(=O)N4C)cc2)o1
InChIInChI=1S/C25H27N3O5S/c1-16-5-10-19(33-16)15-26-23(29)18-8-6-17(7-9-18)14-27-34(31,32)20-11-12-22-21(13-20)25(2,3)24(30)28(22)4/h5-13,27H,14-15H2,1-4H3,(H,26,29)
InChIKeyOFFNUBKSZOPNQH-UHFFFAOYSA-N
MW481.57 g/mol
LogP3.25
Rot. Bonds7

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

N-[(5-methylfuran-2-yl)methyl]-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]benzamide (PubChem CID 20903324) has the molecular formula C25H27N3O5S and a molecular weight of 481.57 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]benzamide.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]benzamide
PubChem CID20903324
Molecular FormulaC25H27N3O5S
Molecular Weight481.57 g/mol
Exact Mass481.17
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]benzamide
SMILESCc1ccc(CNC(=O)c2ccc(CNS(=O)(=O)c3ccc4c(c3)C(C)(C)C(=O)N4C)cc2)o1
InChIInChI=1S/C25H27N3O5S/c1-16-5-10-19(33-16)15-26-23(29)18-8-6-17(7-9-18)14-27-34(31,32)20-11-12-22-21(13-20)25(2,3)24(30)28(22)4/h5-13,27H,14-15H2,1-4H3,(H,26,29)
InChIKeyOFFNUBKSZOPNQH-UHFFFAOYSA-N
XLogP3.25
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.57
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]benzamide?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]benzamide (CID 20903324) is N-[(5-methylfuran-2-yl)methyl]-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]benzamide.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]benzamide?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]benzamide is Cc1ccc(CNC(=O)c2ccc(CNS(=O)(=O)c3ccc4c(c3)C(C)(C)C(=O)N4C)cc2)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]benzamide?
The InChIKey is OFFNUBKSZOPNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O5S/c1-16-5-10-19(33-16)15-26-23(29)18-8-6-17(7-9-18)14-27-34(31,32)20-11-12-22-21(13-20)25(2,3)24(30)28(22)4/h5-13,27H,14-15H2,1-4H3,(H,26,29).
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]benzamide?
N-[(5-methylfuran-2-yl)methyl]-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]benzamide has a molecular weight of 481.57 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]benzamide is sourced from PubChem (CID 20903324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).