N-(furan-2-ylmethyl)-N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide

C24H25N3O5S — CID 5308286

IUPACN-(furan-2-ylmethyl)-N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide
SMILESCN(Cc1ccco1)C(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C24H25N3O5S/c1-27(16-19-8-5-13-32-19)24(29)22(14-17-6-3-2-4-7-17)26-33(30,31)20-10-11-21-18(15-20)9-12-23(28)25-21/h2-8,10-11,13,15,22,26H,9,12,14,16H2,1H3,(H,25,28)
InChIKeyQCNZVZJVADUKQF-UHFFFAOYSA-N
MW467.55 g/mol
LogP2.71
Rot. Bonds8

About N-(furan-2-ylmethyl)-N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide

N-(furan-2-ylmethyl)-N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide (PubChem CID 5308286) has the molecular formula C24H25N3O5S and a molecular weight of 467.55 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide
PubChem CID5308286
Molecular FormulaC24H25N3O5S
Molecular Weight467.55 g/mol
Exact Mass467.15
IUPAC NameN-(furan-2-ylmethyl)-N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide
SMILESCN(Cc1ccco1)C(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C24H25N3O5S/c1-27(16-19-8-5-13-32-19)24(29)22(14-17-6-3-2-4-7-17)26-33(30,31)20-10-11-21-18(15-20)9-12-23(28)25-21/h2-8,10-11,13,15,22,26H,9,12,14,16H2,1H3,(H,25,28)
InChIKeyQCNZVZJVADUKQF-UHFFFAOYSA-N
XLogP2.71
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 52.71
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)-N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide (CID 5308286) is N-(furan-2-ylmethyl)-N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide is CN(Cc1ccco1)C(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of N-(furan-2-ylmethyl)-N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide?
The InChIKey is QCNZVZJVADUKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5S/c1-27(16-19-8-5-13-32-19)24(29)22(14-17-6-3-2-4-7-17)26-33(30,31)20-10-11-21-18(15-20)9-12-23(28)25-21/h2-8,10-11,13,15,22,26H,9,12,14,16H2,1H3,(H,25,28).
What are the key properties of N-(furan-2-ylmethyl)-N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide?
N-(furan-2-ylmethyl)-N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide has a molecular weight of 467.55 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide is sourced from PubChem (CID 5308286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).