4-[[furan-2-ylmethyl(quinolin-8-ylmethylsulfonyl)amino]methyl]-N-methylbenzamide

C24H23N3O4S — CID 86969757

IUPAC4-[[furan-2-ylmethyl(quinolin-8-ylmethylsulfonyl)amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(Cc2ccco2)S(=O)(=O)Cc2cccc3cccnc23)cc1
InChIInChI=1S/C24H23N3O4S/c1-25-24(28)20-11-9-18(10-12-20)15-27(16-22-8-4-14-31-22)32(29,30)17-21-6-2-5-19-7-3-13-26-23(19)21/h2-14H,15-17H2,1H3,(H,25,28)
InChIKeyMNHPLVVEDCKLEM-UHFFFAOYSA-N
MW449.53 g/mol
LogP3.72
Rot. Bonds8

About 4-[[furan-2-ylmethyl(quinolin-8-ylmethylsulfonyl)amino]methyl]-N-methylbenzamide

4-[[furan-2-ylmethyl(quinolin-8-ylmethylsulfonyl)amino]methyl]-N-methylbenzamide (PubChem CID 86969757) has the molecular formula C24H23N3O4S and a molecular weight of 449.53 g/mol. Its IUPAC name is 4-[[furan-2-ylmethyl(quinolin-8-ylmethylsulfonyl)amino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[furan-2-ylmethyl(quinolin-8-ylmethylsulfonyl)amino]methyl]-N-methylbenzamide
PubChem CID86969757
Molecular FormulaC24H23N3O4S
Molecular Weight449.53 g/mol
Exact Mass449.14
IUPAC Name4-[[furan-2-ylmethyl(quinolin-8-ylmethylsulfonyl)amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(Cc2ccco2)S(=O)(=O)Cc2cccc3cccnc23)cc1
InChIInChI=1S/C24H23N3O4S/c1-25-24(28)20-11-9-18(10-12-20)15-27(16-22-8-4-14-31-22)32(29,30)17-21-6-2-5-19-7-3-13-26-23(19)21/h2-14H,15-17H2,1H3,(H,25,28)
InChIKeyMNHPLVVEDCKLEM-UHFFFAOYSA-N
XLogP3.72
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[furan-2-ylmethyl-[3-(furan-2-yl)propanoyl]amino]methyl]-N-methylbenzamide
CID 37433435
N-methyl-4-[(quinolin-8-ylamino)methyl]benzamide
CID 157391991
4-[[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide
CID 86936719
1-N-(furan-2-ylmethyl)-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide
CID 109046640
3-chloro-N-(furan-2-ylmethyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 34907655
4-[[furan-2-ylmethyl-[(4-imidazol-1-ylphenyl)methyl]amino]methyl]-N-methylbenzamide
CID 86879111
N-ethyl-1-quinolin-8-yl-N-(3,3,3-trifluoropropyl)methanesulfonamide
CID 75372180
N-(furan-2-ylmethyl)-2-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 34907709
4-[[[2-(dibenzylamino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide
CID 30798139
4-[[furan-2-ylmethyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]-N-methylbenzamide
CID 34214609
N'-(2-quinolin-8-ylacetyl)benzohydrazide
CID 24663185
3-[ethylsulfonyl(furan-2-ylmethyl)amino]propanoic acid
CID 50894680

Frequently Asked Questions

What is the IUPAC name of 4-[[furan-2-ylmethyl(quinolin-8-ylmethylsulfonyl)amino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[furan-2-ylmethyl(quinolin-8-ylmethylsulfonyl)amino]methyl]-N-methylbenzamide (CID 86969757) is 4-[[furan-2-ylmethyl(quinolin-8-ylmethylsulfonyl)amino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[furan-2-ylmethyl(quinolin-8-ylmethylsulfonyl)amino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[furan-2-ylmethyl(quinolin-8-ylmethylsulfonyl)amino]methyl]-N-methylbenzamide is CNC(=O)c1ccc(CN(Cc2ccco2)S(=O)(=O)Cc2cccc3cccnc23)cc1.
What is the InChIKey of 4-[[furan-2-ylmethyl(quinolin-8-ylmethylsulfonyl)amino]methyl]-N-methylbenzamide?
The InChIKey is MNHPLVVEDCKLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S/c1-25-24(28)20-11-9-18(10-12-20)15-27(16-22-8-4-14-31-22)32(29,30)17-21-6-2-5-19-7-3-13-26-23(19)21/h2-14H,15-17H2,1H3,(H,25,28).
What are the key properties of 4-[[furan-2-ylmethyl(quinolin-8-ylmethylsulfonyl)amino]methyl]-N-methylbenzamide?
4-[[furan-2-ylmethyl(quinolin-8-ylmethylsulfonyl)amino]methyl]-N-methylbenzamide has a molecular weight of 449.53 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[furan-2-ylmethyl(quinolin-8-ylmethylsulfonyl)amino]methyl]-N-methylbenzamide is sourced from PubChem (CID 86969757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).